# cl_id

name: Manganese dilinoleate
cas: 646-00-4
formula: C18H32O2.1/2Mn
inchikey: SEAWWISVQGCBOW-GRVYQHKQSA-L
norman_susdat_id: NS00079432
smiles: [Mn+2].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H32O2.Mn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2


cas: 6460-01-1
dtxsid: DTXSID20889551
formula: C38H28N6O12S3
inchikey: ATRALPSKQPQOTB-UHFFFAOYSA-K
norman_susdat_id: NS00046052
pubchem_cid: 73036
name:
Trisodium 4-hydroxy-7-[[[[5-hydroxy-7-sulfonato-6-[(o-tolyl)azo]-2-naphthyl]amino]carbonyl]amino]-3-[(6-sulphonato-2-naphthyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C38H28N6O12S3.3Na/c1-20-4-2-3-5-31(20)42-44-35-33(59(54,55)56)19-24-16-26(10-13-30(24)37(35)46)40-38(47)39-25-9-12-29-23(15-25)18-32(58(51,52)53)34(36(29)45)43-41-27-8-6-22-17-28(57(48,49)50)11-7-21(22)14-27;;;/h2-19,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC4=CC(=CC=C4C3)S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])NC=5C=CC=6C(C5)=CC(=C(N=NC=7C=CC=CC7C)C6O)S(=O)(=O)[O-]


name: N-benzoyl-DL-glutamic acid
cas: 6460-81-7
dtxsid: DTXSID20983220
formula: C12H13NO5
inchikey: LPJXPACOXRZCCP-VIFPVBQESA-N
norman_susdat_id: NS00046745
pubchem_cid: 11345724
smiles: O=C(O)CCC(NC(=O)C=1C=CC=CC1)C(=O)O
inchi:
InChI=1/C12H13NO5/c14-10(15)7-6-9(12(17)18)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)(H,17,18)


name: Decanoic acid, compound with 2-(isopropylamino)ethanol (1:1)
cas: 64601-15-6
formula: C10H20O2.C5H13NO
inchikey: MQJFOCCWCPIOEV-UHFFFAOYSA-N
norman_susdat_id: NS00086644
smiles: CCCCCCCCCC(=O)O.CC(C)NCCO
inchi:
InChI=1/C10H20O2.C5H13NO/c1-2-3-4-5-6-7-8-9-10(11)12;1-5(2)6-3-4-7/h2-9H2,1H3,(H,11,12);5-7H,3-4H2,1-2H3


name: Lauric acid, compound with 1,1'-iminodipropan-2-ol (1:1)
cas: 64608-94-2
formula: C12H24O2.C6H15NO2
inchikey: AQRSPWILOBRRGP-UHFFFAOYSA-N
norman_susdat_id: NS00086705
smiles: CCCCCCCCCCCC(=O)O.CC(O)CNCC(C)O
inchi:
InChI=1/C12H24O2.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-5(8)3-7-4-6(2)9/h2-11H2,1H3,(H,13,14);5-9H,3-4H2,1-2H3


name: 1H-Indole-3-acetic acid, 2-chloro-1-phenyl-
cas: 64611-73-0
chemspiderid: 89987
dtxsid: DTXSID60213235
formula: C16H12Cl1N1O2
inchikey: VQBVHVQOXIDVBS-UHFFFAOYSA-N
norman_susdat_id: NS00005143
pubchem_cid: 99603
smiles: OC(=O)Cc1c(Cl)n(-c2ccccc2)c2ccccc12
inchi:
InChI=1S/C16H12ClNO2/c17-16-13(10-15(19)20)12-8-4-5-9-14(12)18(16)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)


cas: 64611-81-0
formula: C23H48NO2
norman_susdat_id: NS00101808
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[[methyl-(9Z)-9-octadecenyliminio]di-2,1-ethanediyl]bis[.omega.-hydroxy-, methyl sulfate (salt)


name: Acetamide, N-[3-[(2-cyanoethyl)-2-propenylamino]-4-methoxyphenyl]-
cas: 64611-87-6
chemspiderid: 104273
dtxsid: DTXSID9070115
formula: C15H19N3O2
inchikey: KMMWJCUYQJFHNH-UHFFFAOYSA-N
norman_susdat_id: NS00035720
pubchem_cid: 116641
smiles: COc1ccc(NC(=O)C)cc1N(CCC#N)CC=C
inchi:
InChI=1S/C15H19N3O2/c1-4-9-18(10-5-8-16)14-11-13(17-12(2)19)6-7-15(14)20-3/h4,6-7,11H,1,5,9-10H2,2-3H3,(H,17,19)


name: 3-(diethylamino)-7-[(o-tolyl)amino]phenoxazin-5-ium tetrachlorozincate (2:1)
cas: 64611-91-2
dtxsid: DTXSID20983225
formula: C23H24N3O
inchikey: UKLJZMOFSAXODO-UHFFFAOYSA-J
norman_susdat_id: NS00053731
pubchem_cid: NA
inchi:
InChI=1/2C23H24N3O.4ClH.Zn/c2*1-4-26(5-2)18-11-13-21-23(15-18)27-22-14-17(10-12-20(22)25-21)24-19-9-7-6-8-16(19)3;;;;;/h2*6-15,24H,4-5H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C23H24N3O.Cl4Zn/c2*1-4-26(5-2)18-11-13-21-23(15-18)27-22-14-17(10-12-20(22)25-21)24-19-9-7-6-8-16(19)3;1-5(2,3)4/h2*6-15,24H,4-5H2,1-3H3;/q2*+1;-2

smiles:
Cl[Zn-2](Cl)(Cl)Cl.N=1C2=CC=C(C=C2[O+]=C3C=C(C=CC13)N(CC)CC)NC=4C=CC=CC4C.N=1C2=CC=C(C=C2[O+]=C3C=C(C=CC13)N(CC)CC)NC=4C=CC=CC4C


name: N-(2,4-dimethoxyphenyl)-3-oxo-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]azo]butyramide
cas: 64611-92-3
dtxsid: DTXSID70867086
formula: C26H23N5O5
inchikey: VJLXPIHJIADFRF-UHFFFAOYSA-N
norman_susdat_id: NS00053732
pubchem_cid: 115840
smiles: O=C(NC1=CC=C(OC)C=C1OC)C(N=NC=2C=CC=CC2C3=NC(=NO3)C=4C=CC=CC4)C(=O)C
inchi:
InChI=1/C26H23N5O5/c1-16(32)23(25(33)27-21-14-13-18(34-2)15-22(21)35-3)30-29-20-12-8-7-11-19(20)26-28-24(31-36-26)17-9-5-4-6-10-17/h4-15,23H,1-3H3,(H,27,33)


name: 2-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-3-oxo-N-phenylbutyramide
cas: 64611-93-4
dtxsid: DTXSID30867087
formula: C24H17N3O4
inchikey: DFRWBCUUBVLBGL-UHFFFAOYSA-N
norman_susdat_id: NS00054563
pubchem_cid: 115841
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(N=NC(C(=O)NC=4C=CC=CC4)C(=O)C)=CC=CC13
inchi:
InChI=1/C24H17N3O4/c1-14(28)21(24(31)25-15-8-3-2-4-9-15)27-26-19-13-7-12-18-20(19)23(30)17-11-6-5-10-16(17)22(18)29/h2-13,21H,1H3,(H,25,31)


name: Acetamide, N-[2-[(5-bromo-7-nitro-1,2-benzisothiazol-4-yl)azo]-5-(diethylamino)phenyl]-2-phenoxy-
cas: 64611-94-5
chemspiderid: 104274
dtxsid: DTXSID4070116
formula: C25H23Br1N6O4S1
inchikey: CDYOIEJXFJYWAF-UHFFFAOYSA-N
norman_susdat_id: NS00035721
pubchem_cid: 116642
smiles: CCN(CC)c1cc(NC(=O)COc2ccccc2)c(cc1)N=Nc1c(Br)cc(c2c1cns2)[N+](=O)[O-]
inchi:
InChI=1S/C25H23BrN6O4S/c1-3-31(4-2)16-10-11-20(21(12-16)28-23(33)15-36-17-8-6-5-7-9-17)29-30-24-18-14-27-37-25(18)22(32(34)35)13-19(24)26/h5-14H,3-4,15H2,1-2H3,(H,28,33)/b30-29+


name: 3,3'-((4-Cyanophenyl)methylene)bis(6-hydroxy-5-methylbenzoic acid)
cas: 64621-97-2
dtxsid: DTXSID90214871
formula: C24H19NO6
inchikey: POBSTLLOMLGTNI-UHFFFAOYSA-N
norman_susdat_id: NS00093668
smiles: CC1=CC(=CC(C(O)=O)=C1O)C(C1=CC=C(C=C1)C#N)C1=CC(C(O)=O)=C(O)C(C)=C1
inchi:
InChI=1S/C24H19NO6/c1-12-7-16(9-18(21(12)26)23(28)29)20(15-5-3-14(11-25)4-6-15)17-8-13(2)22(27)19(10-17)24(30)31/h3-10,20,26-27H,1-2H3,(H,28,29)(H,30,31)


name: Ibuprofen piconol
cas: 64622-45-3
chebiid: CHEBI:31685
chemspiderid: 102038
dtxsid: DTXSID7023140
formula: C19H23N1O2
inchikey: ACEWLPOYLGNNHV-UHFFFAOYNA-N
norman_susdat_id: NS00035725
pubchem_cid: NA
smiles: CC(C)Cc1ccc(cc1)C(C)C(=O)OCc1ncccc1
inchi:
InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3/t15-/m1/s1


name: (9beta,15S)-9,11,15-Trihydroxythrombox-13-en-1-oic acid
cas: 64626-32-0
chebiid: CHEBI:73994
chemspiderid: 29341949
dtxsid: DTXSID50822456
formula: C20H36O6
inchikey: JSDWWNLTJCCSAV-VZBVYBAISA-N
norman_susdat_id: NS00016750
pubchem_cid: 71668258
smiles: CCCCCC(C=CC1C(C(CC(O1)O)O)CCCCCCC(=O)O)O
inchi:
InChI=1S/C20H36O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h12-13,15-18,20-22,25H,2-11,14H2,1H3,(H,23,24)/b13-12+/t15-,16-,17-,18+,20?/m0/s1


name: Triflumuron
cas: 64628-44-0
chebiid: CHEBI:39388
chemspiderid: 43172
dtxsid: DTXSID5034355
formula: C15H10Cl1F3N2O3
inchikey: XAIPTRIXGHTTNT-UHFFFAOYSA-N
norman_susdat_id: NS00008938
pubchem_cid: 47445
smiles: FC(F)(F)Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1
inchi:
InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)


name: 2,2'-Thiobis(4-chloro-6-isopropyl-m-cresol)
cas: 64633-23-4
chemspiderid: 4957218
dtxsid: DTXSID20214884
formula: C20H24Cl2O2S1
inchikey: AALDANJLYWODLY-UHFFFAOYSA-N
norman_susdat_id: NS00035726
pubchem_cid: 6454926
smiles: CC(C)c1cc(Cl)c(C)c(Sc2c(C)c(Cl)cc(C(C)C)c2O)c1O
inchi:
InChI=1S/C20H24Cl2O2S/c1-9(2)13-7-15(21)11(5)19(17(13)23)25-20-12(6)16(22)8-14(10(3)4)18(20)24/h7-10,23-24H,1-6H3


name: Ethyl N-[3-chloro-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-ß-alaninate
cas: 6464-90-0
formula: C20H21ClN5O4
inchikey: JLTWMENELQOLLH-UHFFFAOYSA-N
norman_susdat_id: NS00046746
pubchem_cid: 80936
smiles: N#CC1=CC(=CC=C1N=NC2=CC=C(C=C2Cl)N(CC)CCC(=O)OCC)[N+](=O)[O-]
inchi:
InChI=1/C20H20ClN5O4/c1-3-25(10-9-20(27)30-4-2)15-5-8-19(17(21)12-15)24-23-18-7-6-16(26(28)29)11-14(18)13-22/h5-8,11-12H,3-4,9-10H2,1-2H3


name: 4-(1-methyl-1-phenylethyl)phenyl benzoate
cas: 64641-84-5
dtxsid: DTXSID10886695
formula: C22H20O2
inchikey: IKYNDBQJTHKDIL-UHFFFAOYSA-N
norman_susdat_id: NS00053733
pubchem_cid: 116647
smiles: O=C(OC1=CC=C(C=C1)C(C=2C=CC=CC2)(C)C)C=3C=CC=CC3
inchi:
InChI=1/C22H20O2/c1-22(2,18-11-7-4-8-12-18)19-13-15-20(16-14-19)24-21(23)17-9-5-3-6-10-17/h3-16H,1-2H3


name: (5a)-17-(cyclobutylmethyl)-4,5-epoxy-14-hydroxy-3-methoxymorphinan-6-one
cas: 64643-71-6
dtxsid: DTXSID00983248
formula: C22H27NO4
inchikey: ZBAQMFALLMLPSC-KDXIVRHGSA-N
norman_susdat_id: NS00053226
pubchem_cid: 56843404
smiles: O=C1CCC2(O)C3N(CCC42C5=C(OC14)C(OC)=CC=C5C3)CC6CCC6
inchi:
InChI=1/C22H27NO4/c1-26-16-6-5-14-11-17-22(25)8-7-15(24)20-21(22,18(14)19(16)27-20)9-10-23(17)12-13-3-2-4-13/h5-6,13,17,20,25H,2-4,7-12H2,1H3


name: (5a)-17-(cyclobutylcarbonyl)-4,5-epoxy-14-hydroxy-3-methoxymorphinan-6-one
cas: 64643-72-7
dtxsid: DTXSID60983249
formula: C22H25NO5
inchikey: PLLQBYVVSBKDTO-JJJJLYANSA-N
norman_susdat_id: NS00053653
pubchem_cid: 56843405
smiles: O=C(N1CCC23C4=C5OC3C(=O)CCC2(O)C1CC4=CC=C5OC)C6CCC6
inchi:
InChI=1/C22H25NO5/c1-27-15-6-5-13-11-16-22(26)8-7-14(24)19-21(22,17(13)18(15)28-19)9-10-23(16)20(25)12-3-2-4-12/h5-6,12,16,19,26H,2-4,7-11H2,1H3


name: (5a)-4,5-epoxy-17-methyl-6-oxomorphinan-3,14-diyl diacetate
cas: 64643-76-1
dtxsid: DTXSID70983250
formula: C21H23NO6
inchikey: OPPSZLCGCWIRIA-MBPVOVBZSA-N
norman_susdat_id: NS00054576
pubchem_cid: 56843406
smiles: O=C(OC1=CC=C2C3=C1OC4C(=O)CCC5(OC(=O)C)C(N(C)CCC345)C2)C
inchi:
InChI=1/C21H23NO6/c1-11(23)26-15-5-4-13-10-16-21(28-12(2)24)7-6-14(25)19-20(21,8-9-22(16)3)17(13)18(15)27-19/h4-5,16,19H,6-10H2,1-3H3


name: Methyl [4-[[4-[(4-hydroxyphenyl)azo]-2-methylphenyl]azo]phenyl]-carbamate
cas: 6465-02-7
dtxsid: DTXSID1064372
formula: C21H19N5O3
inchikey: AIIYSSBNDAQLIG-UHFFFAOYSA-N
norman_susdat_id: NS00046819
pubchem_cid: 80937
smiles: O=C(OC)NC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(O)C=C3)C=C2C)C=C1
inchi:
InChI=1/C21H19N5O3/c1-14-13-18(25-23-17-7-10-19(27)11-8-17)9-12-20(14)26-24-16-5-3-15(4-6-16)22-21(28)29-2/h3-13,27H,1-2H3,(H,22,28)


name: Oleic acid, compound with 1H-benzotriazole
cas: 64653-97-0
formula: C18H34O2.xC6H5N3
inchikey: FNPOUUYXQRTDRX-KVVVOXFISA-N
norman_susdat_id: NS00087366
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.c1ccc2[nH]nnc2c1
inchi:
InChI=1/C18H34O2.C6H5N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-4-6-5(3-1)7-9-8-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-4H,(H,7,8,9)


name: Bis[2-[bis(2-hydroxyethyl)amino]ethyl] icosenylsuccinate
cas: 64654-00-8
formula: C36H70N2O8
inchikey: USRSIXHVNBRIKZ-UHFFFAOYSA-N
norman_susdat_id: NS00053656
pubchem_cid: NA
smiles: O=C(OCCN(CCO)CCO)CC(C=CCCCCCCCCCCCCCCCCCC)C(=O)OCCN(CCO)CCO
inchi:
InChI=1/C36H70N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-34(36(44)46-32-26-38(23-29-41)24-30-42)33-35(43)45-31-25-37(21-27-39)22-28-40/h19-20,34,39-42H,2-18,21-33H2,1H3


name: Bis[2-[bis(2-hydroxyethyl)amino]ethyl] 2-docosenylsuccinate
cas: 64654-02-0
formula: C38H74N2O8
inchikey: GQGFMBDBKPWSDJ-UHFFFAOYSA-N
norman_susdat_id: NS00053657
pubchem_cid: NA
smiles: O=C(OCCN(CCO)CCO)CC(C(=O)OCCN(CCO)CCO)CC=CCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C38H74N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-36(38(46)48-34-28-40(25-31-43)26-32-44)35-37(45)47-33-27-39(23-29-41)24-30-42/h20-21,36,41-44H,2-19,22-35H2,1H3


name: Bis[2-[bis(2-hydroxyethyl)amino]ethyl] 2-tetracosenylsuccinate
cas: 64654-04-2
formula: C40H78N2O8
inchikey: OWGMCJRBLBZHKD-UHFFFAOYSA-N
norman_susdat_id: NS00053227
pubchem_cid: NA
smiles: O=C(OCCN(CCO)CCO)CC(C(=O)OCCN(CCO)CCO)CC=CCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C40H78N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-38(40(48)50-36-30-42(27-33-45)28-34-46)37-39(47)49-35-29-41(25-31-43)26-32-44/h22-23,38,43-46H,2-21,24-37H2,1H3


name: 1-Naphthalenamine, N-(dodecylphenyl)-
cas: 64654-05-3
chemspiderid: 104277
dtxsid: DTXSID8070120
formula: C28H37N1
inchikey: JSIRUVGNQVWPSE-UHFFFAOYSA-N
norman_susdat_id: NS00021312
pubchem_cid: 116650
smiles: CCCCCCCCCCCCc1ccccc1Nc1c2ccccc2ccc1
inchi:
InChI=1S/C28H37N/c1-2-3-4-5-6-7-8-9-10-11-18-25-19-13-15-22-27(25)29-28-23-16-20-24-17-12-14-21-26(24)28/h12-17,19-23,29H,2-11,18H2,1H3


name: 1,4-Benzenediol, ditetradecyl-
cas: 64654-06-4
chemspiderid: 104278
dtxsid: DTXSID3070121
formula: C34H62O2
inchikey: LHNGROZNMQUJLP-UHFFFAOYSA-N
norman_susdat_id: NS00035729
pubchem_cid: 116651
smiles: CCCCCCCCCCCCCCc1c(O)ccc(O)c1CCCCCCCCCCCCCC
inchi:
InChI=1S/C34H62O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-32(34(36)30-29-33(31)35)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,35-36H,3-28H2,1-2H3


name: D:C-Friedours-7-en-3-ol, (3ß)-
cas: 6466-94-0
dtxsid: DTXSID10983279
formula: C30H50O
inchikey: TZVDWGXUGGUMCE-UHFFFAOYSA-N
norman_susdat_id: NS00046748
pubchem_cid: 287684
smiles: OC1CCC2(C)C3C(=CCC2C1(C)C)C4(C)CCC5(C)CCC(C)C(C)C5C4(C)CC3
inchi:
InChI=1/C30H50O/c1-19-11-14-27(5)17-18-29(7)22-9-10-23-26(3,4)24(31)13-15-28(23,6)21(22)12-16-30(29,8)25(27)20(19)2/h9,19-21,23-25,31H,10-18H2,1-8H3


name: Bis[2-[bis(2-hydroxyethyl)amino]ethyl] 2-octadecenylsuccinate
cas: 64683-27-8
formula: C34H66N2O8
inchikey: JMFYUZLJZPUUKG-UHFFFAOYSA-N
norman_susdat_id: NS00052927
pubchem_cid: NA
smiles: O=C(OCCN(CCO)CCO)CC(C(=O)OCCN(CCO)CCO)CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C34H66N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32(34(42)44-30-24-36(21-27-39)22-28-40)31-33(41)43-29-23-35(19-25-37)20-26-38/h16-17,32,37-40H,2-15,18-31H2,1H3


name: Disodium 2-[[2,6-dihydroxy-3-[(3-sulphonatophenyl)azo]phenyl]azo]benzoate
cas: 64683-38-1
dtxsid: DTXSID3070123
formula: C19H14N4O7S
inchikey: ZXFKCQUTSGZZSW-UHFFFAOYSA-L
norman_susdat_id: NS00053829
pubchem_cid: 136677354
smiles: [Na+].[Na+].O=C([O-])C=1C=CC=CC1N=NC=2C(O)=CC=C(N=NC3=CC=CC(=C3)S(=O)(=O)[O-])C2O
inchi:
InChI=1/C19H14N4O7S.2Na/c24-16-9-8-15(22-20-11-4-3-5-12(10-11)31(28,29)30)18(25)17(16)23-21-14-7-2-1-6-13(14)19(26)27;;/h1-10,24-25H,(H,26,27)(H,28,29,30);;/q;2*+1/p-2


cas: 64683-40-5
formula: C22H17N5O7S2.2C6H15NO3
inchikey: SPBPZBOGFHMLAF-UHFFFAOYSA-N
norman_susdat_id: NS00085803
smiles: Nc1ccc2c(O)c(N=Nc3ccc(cc3)N=Nc4ccc(cc4)S(=O)(=O)O)c(cc2c1)S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO
name:
7-amino-4-hydroxy-3-[[4-[(4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid, compound with 2,2',2''-nitrilotriethanol (1:2)

inchi:
InChI=1/C22H17N5O7S2.2C6H15NO3/c23-14-1-10-19-13(11-14)12-20(36(32,33)34)21(22(19)28)27-26-16-4-2-15(3-5-16)24-25-17-6-8-18(9-7-17)35(29,30)31;2*8-4-1-7(2-5-9)3-6-10/h1-12,28H,23H2,(H,29,30,31)(H,32,33,34);2*8-10H,1-6H2


name: 2-[2-(3,5-diphenyl-1H-pyrazol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium chloride
cas: 64683-43-8
dtxsid: DTXSID00983304
formula: C28H26N3
inchikey: ONNDCIUKMBBJBQ-UHFFFAOYSA-M
norman_susdat_id: NS00052490
pubchem_cid: NA
smiles: [Cl-].N1=C(C=C(C=2C=CC=CC2)N1C=CC3=[N+](C=4C=CC=CC4C3(C)C)C)C=5C=CC=CC5
inchi:
InChI=1/C28H26N3.ClH/c1-28(2)23-16-10-11-17-25(23)30(3)27(28)18-19-31-26(22-14-8-5-9-15-22)20-24(29-31)21-12-6-4-7-13-21;/h4-20H,1-3H3;1H/q+1;/p-1


name: Chlorprothixene hydrochloride
cas: 6469-93-8
formula: C18H18ClNS.ClH
inchikey: YWKRLOSRDGPEJR-UHFFFAOYSA-N
norman_susdat_id: NS00082839
smiles: Cl.CN(C)CCC=C1c3ccccc3Sc2ccc(Cl)cc12
inchi:
InChI=1/C18H18ClNS.ClH/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18;/h3-4,6-10,12H,5,11H2,1-2H3;1H


name: 1,1'-(decane-1,10-diyl)bis[4-(octylamino)pyridinium] dichloride
cas: 64690-21-7
formula: C36H64N4.2Cl
inchikey: SMGTYJPMKXNQFY-UHFFFAOYSA-N
norman_susdat_id: NS00086116
smiles: [Cl-].[Cl-].CCCCCCCCNc1cc[n+](CCCCCCCCCC[n+]2ccc(NCCCCCCCC)cc2)cc1
inchi:
InChI=1/C36H62N4.2ClH/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;;/h23-26,31-34H,3-22,27-30H2,1-2H3;2*1H


name: Perfluoropentane sulfonamidoacetic acid
cas: 647-43-8
chemspiderid: NA
formula: C7H4F11N1O4S1
inchikey: LQFCGTRMRYTKLO-UHFFFAOYSA-N
norman_susdat_id: NS00010970
pubchem_cid: 21267707
smiles: OC(CNS(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(=O)=O)=O
inchi:
InChI=1S/C7H4F11NO4S/c8-3(9,4(10,11)6(14,15)16)5(12,13)7(17,18)24(22,23)19-1-2(20)21/h19H,1H2,(H,20,21)


cas: 6470-20-8
dtxsid: DTXSID80889552
formula: C32H24N6O8S2
inchikey: JCGDEGCAEZOBSD-UHFFFAOYSA-L
norman_susdat_id: NS00047802
pubchem_cid: 145869
name:
Disodium 4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4'-[(2-hydroxy-1-naphthyl)azo][1,1'-biphenyl]-2,2'-disulphonate

inchi:
InChI=1/C32H24N6O8S2.2Na/c1-19-30(32(40)38(37-19)23-8-3-2-4-9-23)35-33-21-12-14-25(28(17-21)47(41,42)43)26-15-13-22(18-29(26)48(44,45)46)34-36-31-24-10-6-5-7-20(24)11-16-27(31)39;;/h2-18,30,39H,1H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC=C(C=3C=CC(N=NC4=C(O)C=CC=5C=CC=CC54)=CC3S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-])C=6C=CC=CC6


name: Sodium 7-[(4-aminobenzoyl)amino]-4-hydroxy-3-[(2-methoxyphenyl)azo]naphthalene-2-sulphonate
cas: 6470-23-1
dtxsid: DTXSID70884314
formula: C24H20N4O6S
inchikey: BZGZXWDAYNJIFU-UHFFFAOYSA-M
norman_susdat_id: NS00047211
pubchem_cid: 80948
smiles: [Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3OC)C2O)S(=O)(=O)[O-])C4=CC=C(N)C=C4
inchi:
InChI=1/C24H20N4O6S.Na/c1-34-20-5-3-2-4-19(20)27-28-22-21(35(31,32)33)13-15-12-17(10-11-18(15)23(22)29)26-24(30)14-6-8-16(25)9-7-14;/h2-13,29H,25H2,1H3,(H,26,30)(H,31,32,33);/q;+1/p-1


cas: 6470-31-1
formula: C32H22Cl2N6O6S2
inchikey: NRXDNEXGDVFWIR-UHFFFAOYSA-L
norman_susdat_id: NS00046478
pubchem_cid: 22977
name:
Disodium 3,3'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis(4-aminonaphthalene-1-sulphonate)

inchi:
InChI=1/C32H22Cl2N6O6S2.2Na/c33-23-13-17(9-11-25(23)37-39-27-15-29(47(41,42)43)19-5-1-3-7-21(19)31(27)35)18-10-12-26(24(34)14-18)38-40-28-16-30(48(44,45)46)20-6-2-4-8-22(20)32(28)36;;/h1-16H,35-36H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(N=NC=2C=CC(=CC2Cl)C3=CC=C(N=NC=4C=C(C=5C=CC=CC5C4N)S(=O)(=O)[O-])C(Cl)=C3)=C(N)C=6C=CC=CC61


cas: 6470-38-8
formula: C36H28N4O10S3
inchikey: GPUNJJQVDAZQRI-UHFFFAOYSA-L
norman_susdat_id: NS00047803
pubchem_cid: 135571020
name:
Disodium 3-[[2,2'-dimethyl-4'-[[4-[(phenylsulphonyl)oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C36H28N4O10S3.2Na/c1-22-18-26(38-37-25-8-12-28(13-9-25)50-53(48,49)29-6-4-3-5-7-29)10-15-31(22)32-16-11-27(19-23(32)2)39-40-35-34(52(45,46)47)21-24-20-30(51(42,43)44)14-17-33(24)36(35)41;;/h3-21,41H,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(C4=CC=C(N=NC5=CC=C(OS(=O)(=O)C=6C=CC=CC6)C=C5)C=C4C)C(=C3)C)C2O)S(=O)(=O)[O-]


cas: 6470-39-9
formula: C36H29ClN6O7S2
inchikey: UCOKCRRSIUMYIV-UHFFFAOYSA-M
norman_susdat_id: NS00047821
pubchem_cid: 6454943
name:
Sodium 4-chloro-3-[4-[[2,2'-dimethyl-4'-[[4-[(phenylsulphonyl)oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C36H29ClN6O7S2.Na/c1-22-19-26(39-38-25-9-13-28(14-10-25)50-52(48,49)29-7-5-4-6-8-29)11-16-31(22)32-17-12-27(20-23(32)2)40-41-35-24(3)42-43(36(35)44)34-21-30(51(45,46)47)15-18-33(34)37;/h4-21,35H,1-3H3,(H,45,46,47);/q;+1/p-1

smiles:
[Na+].O=C1N(N=C(C)C1N=NC2=CC=C(C=3C=CC(N=NC4=CC=C(OS(=O)(=O)C=5C=CC=CC5)C=C4)=CC3C)C(=C2)C)C6=CC(=CC=C6Cl)S(=O)(=O)[O-]


name: 2-Amino-5-(p-nitrobenzamido)benzenesulphonic acid
cas: 6470-53-7
chemspiderid: 4588183
dtxsid: DTXSID00215031
formula: C13H11N3O6S1
inchikey: PLLCVXOUKOLTLC-UHFFFAOYSA-N
norman_susdat_id: NS00035738
pubchem_cid: 5483441
smiles: Nc1c(cc(NC(=O)c2ccc(cc2)[N+](=O)[O-])cc1)S(=O)(=O)O
inchi:
InChI=1S/C13H11N3O6S/c14-11-6-3-9(7-12(11)23(20,21)22)15-13(17)8-1-4-10(5-2-8)16(18)19/h1-7H,14H2,(H,15,17)(H,20,21,22)


name: N,N'-(9,10-dihydro-9,10-dioxoanthracene-2,6-diyl)bisbenzamide
cas: 6470-90-2
dtxsid: DTXSID90983338
formula: C28H18N2O4
inchikey: BEGIKIVKUQSREV-UHFFFAOYSA-N
norman_susdat_id: NS00047212
pubchem_cid: 80951
smiles: O=C(NC1=CC=C2C(=O)C3=CC(=CC=C3C(=O)C2=C1)NC(=O)C=4C=CC=CC4)C=5C=CC=CC5
inchi:
InChI=1/C28H18N2O4/c31-25-22-14-12-20(30-28(34)18-9-5-2-6-10-18)16-24(22)26(32)21-13-11-19(15-23(21)25)29-27(33)17-7-3-1-4-8-17/h1-16H,(H,29,33)(H,30,34)


name: Disodium 5-[(4-nitro-2-sulphonatophenyl)azo]salicylate
cas: 6470-97-9
dtxsid: DTXSID40889553
formula: C13H10N3O8S
inchikey: AICTUOFAVKFWQE-UHFFFAOYSA-L
norman_susdat_id: NS00047213
pubchem_cid: 160840
smiles: [Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2S(=O)(=O)[O-])[N+](=O)[O-])=CC=C1O
inchi:
InChI=1/C13H9N3O8S.2Na/c17-11-4-1-7(5-9(11)13(18)19)14-15-10-3-2-8(16(20)21)6-12(10)25(22,23)24;;/h1-6,17H,(H,18,19)(H,22,23,24);;/q;2*+1/p-2


name: Disodium L-cystinate
cas: 64704-23-0
formula: C6H12N2O4S2.2Na
inchikey: PLVPMKWGXOOSKL-RGVONZFCSA-L
norman_susdat_id: NS00086117
smiles: [Na+].[Na+].N[C@@H](CSSC[C@H](N)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H12N2O4S2.2Na/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);;/q;2*+1/p-2


name: Bepridil
cas: 64706-54-3
chebiid: CHEBI:3061
chemspiderid: 2261
dtxsid: DTXSID3022663
formula: C24H34N2O1
inchikey: UIEATEWHFDRYRU-UHFFFAOYSA-N
norman_susdat_id: NS00002270
pubchem_cid: 2351
smiles: CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1
inchi:
InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3


name: Chlortetracycline hydrochloride
cas: 647-06-5
formula: C22H23ClN2O8.xClH
inchikey: CBHYYLPALVVVEY-MRFRVZCGSA-N
norman_susdat_id: NS00083161
smiles: Cl.CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O
inchi:
InChI=1/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31);1H


name: N-chloroacetyl-L-tryptophan
cas: 64709-57-5
formula: C13H13ClN2O3
inchikey: PGTJUXHMJYBSBW-NSHDSACASA-N
norman_susdat_id: NS00052829
pubchem_cid: 101183
smiles: O=C(O)C(NC(=O)CCl)CC1=CNC=2C=CC=CC21
inchi:
InChI=1/C13H13ClN2O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)


cas: 6471-01-8
dtxsid: DTXSID00889554
formula: C43H32N4O10S2
inchikey: HSGZLAUNLFGYFR-UHFFFAOYSA-L
norman_susdat_id: NS00047214
pubchem_cid: 91895242
name:
Disodium 4,4'-[(1-methylethylidene)bis(4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate]

inchi:
InChI=1/C43H32N4O10S2.2Na/c1-43(2,21-11-15-23(16-12-21)46-29-19-31(58(52,53)54)37(44)35-33(29)39(48)25-7-3-5-9-27(25)41(35)50)22-13-17-24(18-14-22)47-30-20-32(59(55,56)57)38(45)36-34(30)40(49)26-8-4-6-10-28(26)42(36)51;;/h3-20,46-47H,44-45H2,1-2H3,(H,52,53,54)(H,55,56,57);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC4=CC=C(C=C4)C(C5=CC=C(C=C5)NC=6C=C(C(N)=C7C(=O)C=8C=CC=CC8C(=O)C67)S(=O)(=O)[O-])(C)C


name: N-(4-amino-9,10-dihydro-9,10-dioxo-1-anthryl)acetamide
cas: 6471-02-9
dtxsid: DTXSID80215054
formula: C16H12N2O3
inchikey: WUTYQBPQNVVTGI-UHFFFAOYSA-N
norman_susdat_id: NS00047199
pubchem_cid: 80953
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(N)C13)NC(=O)C
inchi:
InChI=1/C16H12N2O3/c1-8(19)18-12-7-6-11(17)13-14(12)16(21)10-5-3-2-4-9(10)15(13)20/h2-7H,17H2,1H3,(H,18,19)


name: Trisodium 5-[(6,8-disulphonato-2-naphthyl)azo]salicylate
cas: 6471-07-4
dtxsid: DTXSID60889555
formula: C17H12N2O9S2
inchikey: OGSKTXFSQZLBEB-UHFFFAOYSA-K
norman_susdat_id: NS00047822
pubchem_cid: 80955
smiles: [Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C3C=C(C=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])=CC=C1O
inchi:
InChI=1/C17H12N2O9S2.3Na/c20-15-4-3-11(7-14(15)17(21)22)19-18-10-2-1-9-5-12(29(23,24)25)8-16(13(9)6-10)30(26,27)28;;;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3


name: Trisodium 5-[(4,8-disulphonato-2-naphthyl)azo]salicylate
cas: 6471-08-5
formula: C17H12N2O9S2
inchikey: NRACFCMCQILCIE-UHFFFAOYSA-K
norman_susdat_id: NS00047823
pubchem_cid: 3019893
smiles: [Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=C3C(C=CC=C3S(=O)(=O)[O-])=C(C2)S(=O)(=O)[O-])=CC=C1O
inchi:
InChI=1/C17H12N2O9S2.3Na/c20-14-5-4-9(6-13(14)17(21)22)18-19-10-7-12-11(16(8-10)30(26,27)28)2-1-3-15(12)29(23,24)25;;;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3


cas: 6471-09-6
formula: C42H30N10O11S2
inchikey: UCVWVXRLJHYZLF-UHFFFAOYSA-K
norman_susdat_id: NS00046533
pubchem_cid: NA
name:
Trisodium 5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-2-sulphonatophenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]phenyl]azo]salicylate

inchi:
InChI=1/C42H30N10O11S2.3Na/c43-36-33(65(61,62)63)20-30(34-35(36)38(55)27-9-5-4-8-26(27)37(34)54)44-24-14-16-29(32(19-24)64(58,59)60)47-42-49-40(45-21-6-2-1-3-7-21)48-41(50-42)46-22-10-12-23(13-11-22)51-52-25-15-17-31(53)28(18-25)39(56)57;;;/h1-20,44,53H,43H2,(H,56,57)(H,58,59,60)(H,61,62,63)(H3,45,46,47,48,49,50);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4S(=O)(=O)[O-])NC=5C=C(C(N)=C6C(=O)C=7C=CC=CC7C(=O)C56)S(=O)(=O)[O-])NC=8C=CC=CC8)=CC=C1O


name: Disodium 5,5'-[thiobis(p-phenyleneazo)]disalicylate
cas: 6471-17-6
formula: C26H18N4O6S
inchikey: XJOHJQHIUPCTSS-UHFFFAOYSA-L
norman_susdat_id: NS00047243
pubchem_cid: 82270
smiles: [Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(SC3=CC=C(N=NC4=CC=C(O)C(=C4)C(=O)[O-])C=C3)C=C2)=CC=C1O
inchi:
InChI=1/C26H18N4O6S.2Na/c31-23-11-5-17(13-21(23)25(33)34)29-27-15-1-7-19(8-2-15)37-20-9-3-16(4-10-20)28-30-18-6-12-24(32)22(14-18)26(35)36;;/h1-14,31-32H,(H,33,34)(H,35,36);;/q;2*+1/p-2


name: 2-Naphthalenol, 1-[(3-nitrophenyl)azo]-
cas: 6471-46-1
chemspiderid: 4511678
dtxsid: DTXSID5064380
formula: C16H11N3O3
inchikey: IKTQBBCZGHFCLF-UHFFFAOYSA-N
norman_susdat_id: NS00021313
pubchem_cid: NA
smiles: [O-][N+](=O)c1cc(N/N=C/2C(=O)C=Cc3c2cccc3)ccc1
inchi:
InChI=1S/C16H11N3O3/c20-15-9-8-11-4-1-2-7-14(11)16(15)18-17-12-5-3-6-13(10-12)19(21)22/h1-10,17H/b18-16-


name: C.I. Pigment Red 23
cas: 6471-49-4
chemspiderid: 17215142
dtxsid: DTXSID3021227
formula: C24H17N5O7
inchikey: SOFRHZUTPGJWAM-CYYJNZCTSA-N
norman_susdat_id: NS00020534
pubchem_cid: NA
smiles: COc1c(N/N=C2/C(=O)C(=Cc3ccccc23)C(=O)Nc2cc(ccc2)[N+](=O)[O-])cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C24H17N5O7/c1-36-21-10-9-17(29(34)35)13-20(21)26-27-22-18-8-3-2-5-14(18)11-19(23(22)30)24(31)25-15-6-4-7-16(12-15)28(32)33/h2-13,26H,1H3,(H,25,31)/b27-22+


name: 2-Naphthalenecarboxamide, 4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxy-N-(2-methylphenyl)-
cas: 6471-50-7
dtxsid: DTXSID0064381
formula: C24H18ClN4O4
inchikey: WXHYPQWKGYEJKW-UHFFFAOYSA-N
norman_susdat_id: NS00046535
pubchem_cid: 80958
smiles: O=C(NC=1C=CC=CC1C)C2=CC=3C=CC=CC3C(N=NC4=CC=C(Cl)C=C4[N+](=O)[O-])=C2O
inchi:
InChI=1/C24H17ClN4O4/c1-14-6-2-5-9-19(14)26-24(31)18-12-15-7-3-4-8-17(15)22(23(18)30)28-27-20-11-10-16(25)13-21(20)29(32)33/h2-13,30H,1H3,(H,26,31)


name: N-(4-chloro-2-methylphenyl)-4-[(4-chloro-2-methylphenyl)azo]-3-hydroxynaphthalene-2-carboxamide
cas: 6471-51-8
dtxsid: DTXSID5064382
formula: C25H19Cl2N3O2
inchikey: KWORKYDIARWARF-UHFFFAOYSA-N
norman_susdat_id: NS00047862
pubchem_cid: 80959
smiles: O=C(NC1=CC=C(Cl)C=C1C)C2=CC=3C=CC=CC3C(N=NC4=CC=C(Cl)C=C4C)=C2O
inchi:
InChI=1/C25H19Cl2N3O2/c1-14-11-17(26)7-9-21(14)28-25(32)20-13-16-5-3-4-6-19(16)23(24(20)31)30-29-22-10-8-18(27)12-15(22)2/h3-13,31H,1-2H3,(H,28,32)


name: 7-amino-5-phenyl-2,3-bis(phenylamino)phenazinium chloride
cas: 6471-73-4
dtxsid: DTXSID80983347
formula: C30H24N5
inchikey: SSPMWRJUTFVWHT-UHFFFAOYSA-N
norman_susdat_id: NS00047252
pubchem_cid: 6454948
smiles: [Cl-].N=1C=2C=CC(N)=CC2[N+](C=3C=CC=CC3)=C4C=C(NC=5C=CC=CC5)C(=CC14)NC=6C=CC=CC6
inchi:
InChI=1/C30H23N5.ClH/c31-21-16-17-25-29(18-21)35(24-14-8-3-9-15-24)30-20-27(33-23-12-6-2-7-13-23)26(19-28(30)34-25)32-22-10-4-1-5-11-22;/h1-20H,(H3,31,32,33,34);1H


name: Bis(2-hydroxyethyl)ammonium palmitate
cas: 64715-97-5
formula: C16H32O2.C4H11NO2
inchikey: QGLKEWRJAKVENM-UHFFFAOYSA-N
norman_susdat_id: NS00086118
smiles: CCCCCCCCCCCCCCCC(=O)[O-].OCC[NH2+]CCO
inchi:
InChI=1/C16H32O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;6-3-1-5-2-4-7/h2-15H2,1H3,(H,17,18);5-7H,1-4H2


name: Potassium hexadecylbenzenesulphonate
cas: 64716-00-3
dtxsid: DTXSID30983352
formula: C22H38O3S
inchikey: SVMNBAVEQLDZNO-UHFFFAOYSA-M
norman_susdat_id: NS00052830
pubchem_cid: 174063
smiles: [K+].O=S(=O)([O-])C=1C=CC=CC1CCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H38O3S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20-22(21)26(23,24)25;/h16-17,19-20H,2-15,18H2,1H3,(H,23,24,25);/q;+1/p-1


name: Potassium pentadecylbenzenesulphonate
cas: 64716-02-5
dtxsid: DTXSID90886698
formula: C56H106O3S
inchikey: XDKUOEANRJZODG-UHFFFAOYSA-M
norman_susdat_id: NS00052929
pubchem_cid: 17884334
smiles: [K+].O=S(=O)([O-])C=1C(=C(C(=C(C1CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC
inchi:
InChI=1/C56H106O3S.K/c1-6-11-16-21-26-31-36-41-46-51-52(47-42-37-32-27-22-17-12-7-2)54(49-44-39-34-29-24-19-14-9-4)56(60(57,58)59)55(50-45-40-35-30-25-20-15-10-5)53(51)48-43-38-33-28-23-18-13-8-3;/h6-50H2,1-5H3,(H,57,58,59);/q;+1/p-1


name: Sodium 2-sulphonatoethyl undec-10-enoate
cas: 64716-81-0
formula: C13H24O5S.Na
inchikey: PTLFHEHCDQXTMS-UHFFFAOYSA-M
norman_susdat_id: NS00086134
smiles: [Na+].[O-]S(=O)(=O)CCOC(=O)CCCCCCCCC=C
inchi:
InChI=1/C13H24O5S.Na/c1-2-3-4-5-6-7-8-9-10-13(14)18-11-12-19(15,16)17;/h2H,1,3-12H2,(H,15,16,17);/q;+1/p-1


name: Disodium 4,4'-bis[(2-hydroxy-1-naphthyl)azo]-5,5'-dimethyl[1,1'-biphenyl]-2,2'-disulphonate
cas: 6472-50-0
dtxsid: DTXSID0064383
formula: C34H26N4O8S2
inchikey: UGKYHIDHUKJFGV-UHFFFAOYSA-L
norman_susdat_id: NS00047863
pubchem_cid: 80964
inchi:
InChI=1/C34H26N4O8S2.2Na/c1-19-15-25(31(47(41,42)43)17-27(19)35-37-33-23-9-5-3-7-21(23)11-13-29(33)39)26-16-20(2)28(18-32(26)48(44,45)46)36-38-34-24-10-6-4-8-22(24)12-14-30(34)40;;/h3-18,39-40H,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(N=NC2=C(O)C=CC=3C=CC=CC32)=C(C=C1C4=CC(=C(N=NC5=C(O)C=CC=6C=CC=CC65)C=C4S(=O)(=O)[O-])C)C


name: 16,17-Diethoxyviolanthrene-5,10-dione
cas: 6472-75-9
chemspiderid: 73054
dtxsid: DTXSID50215061
formula: C38H24O4
inchikey: SCEODNGKLXPLHE-UHFFFAOYSA-N
norman_susdat_id: NS00021314
pubchem_cid: 80966
smiles: CCOc1c2c3c(OCC)cc4c5c(cccc5)C(=O)c5ccc(c6ccc7C(=O)c8ccccc8c(c1)c7c26)c3c45
inchi:
InChI=1S/C38H24O4/c1-3-41-29-17-27-19-9-5-7-11-23(19)37(39)25-15-13-21-22-14-16-26-32-28(20-10-6-8-12-24(20)38(26)40)18-30(42-4-2)36(34(22)32)35(29)33(21)31(25)27/h5-18H,3-4H2,1-2H3


cas: 64722-50-5
dtxsid: DTXSID8070126
formula: C32H35N2O8S2
inchikey: NFYQVUOVNAWSLM-UHFFFAOYSA-N
norman_susdat_id: NS00052930
pubchem_cid: NA
name:
Hydrogen 5-methyl-2-[2-[[5-phenyl-3-(3-sulphonatopropyl)-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-3-(3-sulphonatopropyl)benzoxazolium

inchi:
InChI=1/C32H34N2O8S2.H2/c1-3-24(20-31-33(15-7-17-43(35,36)37)27-19-23(2)11-13-29(27)41-31)21-32-34(16-8-18-44(38,39)40)28-22-26(12-14-30(28)42-32)25-9-5-4-6-10-25;/h4-6,9-14,19-22H,3,7-8,15-18H2,1-2H3,(H-,35,36,37,38,39,40);1H/q;+1/p-1

smiles:
[H+].O=S(=O)([O-])CCCN1C(OC=2C=CC(=CC21)C=3C=CC=CC3)=CC(=CC=4OC=5C=CC(=CC5[N+]4CCCS(=O)(=O)[O-])C)CC


name: iso-Roridine E
cas: 64726-84-7
dtxsid: DTXSID60891855
formula: C29H38O8
inchikey: KEEQQEKLEZRLDS-UZFWBDJGSA-N
norman_susdat_id: NS00094908
pubchem_cid: 5458516
smiles: CC1=CC2C3(CC1)COC(=O)/C=C(/CCOC(/C=C/C=C/C(=O)OC4C3(C5(CO5)C(C4)O2)C)C(C)O)C
inchi:
InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6+,19-14+


name: Japonilure
cas: 64726-91-6
chemspiderid: 4940605
dtxsid: DTXSID2035308
formula: C14H24O2
inchikey: QTGIYXFCSKXKMO-XPSMFNQNSA-N
norman_susdat_id: NS00003933
pubchem_cid: 6435920
smiles: CCCCCCCCC=C/[C@H]1CCC(=O)O1
inchi:
InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(15)16-13/h9-10,13H,2-8,11-12H2,1H3/b10-9-/t13-/m0/s1


cas: 6473-02-5
dtxsid: DTXSID20889556
formula: C28H22N10O13S2
inchikey: RXOSYYYTUPWHMK-UHFFFAOYSA-L
norman_susdat_id: NS00047253
pubchem_cid: 16130920
name:
Disodium 4-[[3,5-bis[(3-amino-4-nitrophenyl)azo]-2,4-dihydroxyphenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C28H20N10O13S2.2Na/c29-17-7-13(1-3-22(17)37(42)43)31-34-20-11-21(28(41)26(27(20)40)36-32-14-2-4-23(38(44)45)18(30)8-14)35-33-19-9-15(52(46,47)48)5-12-6-16(53(49,50)51)10-24(39)25(12)19;;/h1-11,39-41H,29-30H2,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C=C(N=NC=3C=C(C=C4C=C(C=C(O)C34)S(=O)(=O)[O-])S(=O)(=O)[O-])C(O)=C(N=NC5=CC=C(C(N)=C5)[N+](=O)[O-])C2O)C=C1N


name: Sodium 2,4-bis[[2,6-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]benzenesulphonate
cas: 6473-04-7
formula: C30H22N10O11S
inchikey: YONHUHGFBGVHEL-UHFFFAOYSA-M
norman_susdat_id: NS00047878
pubchem_cid: NA
inchi:
InChI=1/C30H20N10O11S.Na/c41-24-12-10-21(34-31-16-1-6-19(7-2-16)39(45)46)29(43)27(24)37-33-18-5-14-26(52(49,50)51)23(15-18)36-38-28-25(42)13-11-22(30(28)44)35-32-17-3-8-20(9-4-17)40(47)48;/h1-15,41-44H,(H,49,50,51);/q;+1/p-1

smiles:
[Na+].O=[N+]([O-])C1=CC=C(N=NC2=CC=C(O)C(N=NC3=CC=C(C(N=NC=4C(O)=CC=C(N=NC5=CC=C(C=C5)[N+](=O)[O-])C4O)=C3)S(=O)(=O)[O-])=C2O)C=C1


cas: 6473-13-8
chemspiderid: 7840780
dtxsid: DTXSID7027629
formula: C44H35N13O11S3
inchikey: QTFHTNFVUCUDIR-MEOBUMOMSA-K
norman_susdat_id: NS00019739
pubchem_cid: NA
name:
2-Naphthalenesulfonic acid, 6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-4-hydroxy-, trisodium salt

inchi:
InChI=1S/C44H35N13O11S3/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48/h1-21,49-50,53H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68)/b54-51?,55-52+,56-41+,57-42+

smiles:
[Na+].[Na+].[Na+].Nc1cc(N)c(cc1)N=Nc1cc2c(cc1)C=C(/C(=NNc1ccc(Nc3c(cc(N/N=C4/C(=O)c5c(ccc(c5)N=Nc5c(N)cc(N)cc5)C=C4S(=O)(=O)[O-])cc3)S(=O)(=O)[O-])cc1)/C2=O)S(=O)(=O)[O-]


cas: 6473-15-0
formula: C37H25N7O11S2
inchikey: JVCDGUBEFXLBRU-UHFFFAOYSA-K
norman_susdat_id: NS00047879
pubchem_cid: NA
name:
Trisodium 5-[[4-[[7-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-1-naphthyl]azo]salicylate

inchi:
InChI=1/C37H25N7O11S2.3Na/c38-20-6-9-23-19(13-20)15-32(57(53,54)55)33(35(23)46)43-40-21-7-5-18-14-31(56(50,51)52)34(36(47)26(18)16-21)44-42-29-11-10-28(24-3-1-2-4-25(24)29)41-39-22-8-12-30(45)27(17-22)37(48)49;;;/h1-17,45-47H,38H2,(H,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(N=NC3=C(O)C4=CC(N=NC=5C(O)=C6C=CC(N)=CC6=CC5S(=O)(=O)[O-])=CC=C4C=C3S(=O)(=O)[O-])C=7C=CC=CC27)=CC=C1O


cas: 6473-33-2
formula: C34H26N4O13S3
inchikey: AXHGVKBKZODTCG-UHFFFAOYSA-K
norman_susdat_id: NS00047268
pubchem_cid: NA
name:
Trisodium 4-hydroxy-3-[[4'-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H26N4O13S3.3Na/c1-50-28-14-18(7-11-25(28)35-37-27-17-30(53(44,45)46)23-5-3-4-6-24(23)33(27)39)19-8-12-26(29(15-19)51-2)36-38-32-31(54(47,48)49)16-20-13-21(52(41,42)43)9-10-22(20)34(32)40;;;/h3-17,39-40H,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(C=C3OC)C4=CC=C(N=NC=5C=C(C=6C=CC=CC6C5O)S(=O)(=O)[O-])C(OC)=C4)C2O)S(=O)(=O)[O-]


name: Fenbutrazate hydrochloride
cas: 6474-85-7
formula: C23H29NO3.ClH
inchikey: QYNMGTGFHCYFIE-UHFFFAOYSA-N
norman_susdat_id: NS00082530
smiles: Cl.CCC(C(=O)OCCN1CCOC(C1C)c2ccccc2)c3ccccc3
inchi:
InChI=1/C23H29NO3.ClH/c1-3-21(19-10-6-4-7-11-19)23(25)27-17-15-24-14-16-26-22(18(24)2)20-12-8-5-9-13-20;/h4-13,18,21-22H,3,14-17H2,1-2H3;1H


name: Methyl (19a,20a)-16,17-didehydro-19-methyloxayohimban-16-carboxylate
cas: 6474-90-4
chebiid: CHEBI:9479
formula: C21H24N2O3
inchikey: GRTOGORTSDXSFK-DLLGKBFGSA-N
norman_susdat_id: NS00082054
smiles: COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
inchi:
InChI=1/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3


name: 3-[(4,5-dihydro-5-oxo-1,3-diphenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonic acid
cas: 64743-14-2
dtxsid: DTXSID40886325
formula: C21H16N5O7S
inchikey: YSPMRORHTQVGCD-UHFFFAOYSA-N
norman_susdat_id: NS00055872
pubchem_cid: 135853586
smiles: O=C1N(N=C(C=2C=CC=CC2)C1N=NC=3C=C(C=C(C3O)S(=O)(=O)O)[N+](=O)[O-])C=4C=CC=CC4
inchi:
InChI=1/C21H15N5O7S/c27-20-16(11-15(26(29)30)12-17(20)34(31,32)33)22-23-19-18(13-7-3-1-4-8-13)24-25(21(19)28)14-9-5-2-6-10-14/h1-12,19,27H,(H,31,32,33)


cas: 64754-99-0
dtxsid: DTXSID0095386
norman_susdat_id: NS00113074
name:
Fatty acids, C18-unsatd., dimers, compds. with polyethylenepolyamine-tall-oil fatty acid reaction products


cas: 6476-10-4
dtxsid: DTXSID60983380
formula: C36H25N7O10S3
inchikey: WOTQXAKTCRIUBI-UHFFFAOYSA-K
norman_susdat_id: NS00047279
pubchem_cid: 135565093
name:
Trisodium 8-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-5-[[4-(phenylazo)-6-sulphonatonaphthyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C36H25N7O10S3.3Na/c37-21-7-6-20-16-34(56(51,52)53)35(36(44)27(20)17-21)43-42-33-15-13-31(26-11-9-24(19-29(26)33)55(48,49)50)41-40-30-12-14-32(39-38-22-4-2-1-3-5-22)28-18-23(54(45,46)47)8-10-25(28)30;;;/h1-19,44H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC3=CC=C(N=NC4=C(O)C5=CC(N)=CC=C5C=C4S(=O)(=O)[O-])C=6C=C(C=CC36)S(=O)(=O)[O-])=CC=C(N=NC=7C=CC=CC7)C2C1


name: Phosphine, dicyclohexylphenyl-
cas: 6476-37-5
chemspiderid: 73056
dtxsid: DTXSID0073372
formula: C18H27P1
inchikey: VPLLTGLLUHLIHA-UHFFFAOYSA-N
norman_susdat_id: NS00035744
pubchem_cid: 80970
smiles: C1CCC(CC1)P(C1CCCCC1)c1ccccc1
inchi:
InChI=1S/C18H27P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11,17-18H,2-3,6-9,12-15H2


cas: 64762-96-5
formula: C41H68N6O14
inchikey: QBVHDXKWFUUQRE-UHFFFAOYSA-N
norman_susdat_id: NS00056679
pubchem_cid: 6454959
name:
Diethyl 2,24-diacetyl-13-[6-[[2-(ethoxycarbonyl)-1,3-dioxobutyl]amino]hexyl]-3,12,14,23-tetraoxo-4,11,13,15,22-pentaazapentacosanedioate

inchi:
InChI=1/C41H68N6O14/c1-7-59-37(54)31(28(4)48)34(51)42-22-16-10-12-19-25-45-40(57)47(27-21-15-14-18-24-44-36(53)33(30(6)50)39(56)61-9-3)41(58)46-26-20-13-11-17-23-43-35(52)32(29(5)49)38(55)60-8-2/h31-33H,7-27H2,1-6H3,(H,42,51)(H,43,52)(H,44,53)(H,45,57)(H,46,58)

smiles:
O=C(NCCCCCCNC(=O)C(C(=O)OCC)C(=O)C)N(C(=O)NCCCCCCNC(=O)C(C(=O)OCC)C(=O)C)CCCCCCNC(=O)C(C(=O)OCC)C(=O)C


name: Bassanolide
cas: 64763-82-2
chebiid: CHEBI:145108
chemspiderid: 52084768
dtxsid: DTXSID40891833
formula: C48H84N4O12
inchikey: QVZZPLDJERFENQ-NKTUOASPSA-N
norman_susdat_id: NS00094902
pubchem_cid: 89254632
inchi:
InChI=1S/C48H84N4O12/c1-25(2)21-33-45(57)61-38(30(11)12)42(54)50(18)35(23-27(5)6)47(59)63-40(32(15)16)44(56)52(20)36(24-28(7)8)48(60)64-39(31(13)14)43(55)51(19)34(22-26(3)4)46(58)62-37(29(9)10)41(53)49(33)17/h25-40H,21-24H2,1-20H3/t33-,34-,35-,36-,37+,38+,39+,40+/m0/s1

smiles:
CC(C)C[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C)CC(C)C)C)C(C)C


name: Lead dipicrate
cas: 6477-64-1
formula: C6H3N3O7.1/2Pb
inchikey: MHVVRZIRWITSIP-UHFFFAOYSA-L
norman_susdat_id: NS00082531
inchi:
InChI=1/2C6H3N3O7.Pb.2H/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;;;/h2*1-2,10H;;;/q;;+4;;/p-2/r2C6H3N3O7.H2Pb/c2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h2*1-2,10H;1H2/q;;+4/p-2

smiles:
[Pb+2].O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1[O-])[N+]([O-])=O.[O-][N+](=O)c1cc(cc([N+]([O-])=O)c1[O-])[N+]([O-])=O


cas: 64791-32-8
formula: C30H21N7O7S.2Na
inchikey: OTRXUOSQXSUZIJ-UHFFFAOYSA-L
norman_susdat_id: NS00088497
smiles: [Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)c3nc4ccc(cc4n3)N=Nc6c(cc5ccc(N)cc5c6O)S([O-])(=O)=O
name:
Disodium 5-[[4-[5-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-1H-benzimidazole-2-yl]phenyl]azo]salicylate

inchi:
InChI=1/C30H21N7O7S.2Na/c31-17-4-1-16-11-26(45(42,43)44)27(28(39)21(16)12-17)37-36-20-7-9-23-24(14-20)33-29(32-23)15-2-5-18(6-3-15)34-35-19-8-10-25(38)22(13-19)30(40)41;;/h1-14,38-39H,31H2,(H,32,33)(H,40,41)(H,42,43,44);;/q;2*+1/p-2


name: 1,1'-[1,2-phenylenebis(methylene)]bis[2-(2-sulphonatoethyl)pyridinium]
cas: 64794-67-8
dtxsid: DTXSID80215099
formula: C22H26N2O6S2
inchikey: NBKNNGIDZTZNTA-UHFFFAOYSA-N
norman_susdat_id: NS00055382
pubchem_cid: 6454965
smiles: O=S(=O)([O-])CCC=1C=CC=C[N+]1CC=2C=CC=CC2C[N+]=3C=CC=CC3CCS(=O)(=O)[O-]
inchi:
InChI=1/C22H24N2O6S2/c25-31(26,27)15-11-21-9-3-5-13-23(21)17-19-7-1-2-8-20(19)18-24-14-6-4-10-22(24)12-16-32(28,29)30/h1-10,13-14H,11-12,15-18H2


name: (1Z)-2,2,3,3,4,4,4-Heptafluoro-N'-(2,2,3,3,4,4,4-heptafluorobutanimidoyl)butanimidamide
cas: 648-13-5
dtxsid: DTXSID90328947
formula: C8H3F14N3
inchikey: BDVIKRZPWOTDRP-UHFFFAOYSA-N
norman_susdat_id: NS00111898
smiles: NC(=N/C(=N)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8H3F14N3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22/h(H3,23,24,25)


name: 2,2,3,3,4,4,4-heptafluoro-n'-(2,2,3,3,4,4,4-heptafluorobutanoyl)butanehydrazide
cas: 648-19-1
dtxsid: DTXSID90289322
formula: C8H2F14N2O2
inchikey: DLOWRKICBRDMJY-UHFFFAOYSA-N
norman_susdat_id: NS00111895
smiles: FC(F)(F)C(F)(F)C(F)(F)C(=O)NNC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8H2F14N2O2/c9-3(10,5(13,14)7(17,18)19)1(25)23-24-2(26)4(11,12)6(15,16)8(20,21)22/h(H,23,25)(H,24,26)


name: Sodium 5,7-dihydroxy-4-oxo-3-phenyl-4H-1-benzopyran-2-carboxylate
cas: 6481-55-6
dtxsid: DTXSID50215107
formula: C16H10O6
inchikey: BWDVKOYTZGSASG-UHFFFAOYSA-M
norman_susdat_id: NS00047280
pubchem_cid: 6454972
smiles: [Na+].O=C([O-])C=1OC=2C=C(O)C=C(O)C2C(=O)C1C=3C=CC=CC3
inchi:
InChI=1/C16H10O6.Na/c17-9-6-10(18)13-11(7-9)22-15(16(20)21)12(14(13)19)8-4-2-1-3-5-8;/h1-7,17-18H,(H,20,21);/q;+1/p-1


name: Vitexin-2''-rhamnoside
cas: 64820-99-1
chebiid: CHEBI:32298
chemspiderid: 16736533
dtxsid: DTXSID20215119
formula: C27H30O14
inchikey: LYGPBZVKGHHTIE-HUBYJIGHSA-N
norman_susdat_id: NS00035746
pubchem_cid: 5282151
inchi:
InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,25+,26+,27?/m0/s1

smiles:
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2c2c3oc(cc(=O)c3c(O)cc2O)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O


name: C.I.Solvent Red 18
cas: 6483-64-3
chemspiderid: 7850390
dtxsid: DTXSID0052332
formula: C41H32N4O4
inchikey: FRENQAOPFCZIIV-UHFFFAOYNA-N
norman_susdat_id: NS00020107
pubchem_cid: NA
smiles: COc1c(N/N=C/2C(=O)C=Cc3ccccc23)ccc(c1)C(c1ccccc1)c1cc(OC)c(N/N=C/2C(=O)C=Cc3ccccc23)cc1
inchi:
InChI=1S/C41H32N4O4/c1-48-37-24-29(16-20-33(37)42-44-40-31-14-8-6-10-26(31)18-22-35(40)46)39(28-12-4-3-5-13-28)30-17-21-34(38(25-30)49-2)43-45-41-32-15-9-7-11-27(32)19-23-36(41)47/h3-25,39,42-43H,1-2H3/b44-40-,45-41-


name: 4-Hydroxynaphthalene-2,6-disulphonic acid
cas: 6483-80-3
chemspiderid: 73060
dtxsid: DTXSID50215127
formula: C10H8O7S2
inchikey: TXGYIIYGGRVNHK-UHFFFAOYSA-N
norman_susdat_id: NS00035751
pubchem_cid: 80975
smiles: Oc1cc(cc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C10H8O7S2/c11-10-5-8(19(15,16)17)3-6-1-2-7(4-9(6)10)18(12,13)14/h1-5,11H,(H,12,13,14)(H,15,16,17)


name: 7-((((4-Acetamidophenyl)amino)carbonyl)amino)-4-hydroxynaphthalene-2-sulphonic acid
cas: 6483-83-6
chemspiderid: 73061
dtxsid: DTXSID10215128
formula: C19H17N3O6S1
inchikey: ZVUFRADFUYQPMB-UHFFFAOYSA-N
norman_susdat_id: NS00035752
pubchem_cid: 80976
smiles: CC(=O)Nc1ccc(NC(=O)Nc2cc3cc(cc(O)c3cc2)S(=O)(=O)O)cc1
inchi:
InChI=1S/C19H17N3O6S/c1-11(23)20-13-2-4-14(5-3-13)21-19(25)22-15-6-7-17-12(8-15)9-16(10-18(17)24)29(26,27)28/h2-10,24H,1H3,(H,20,23)(H2,21,22,25)(H,26,27,28)


name: Benzoic acid, 4-butyl-, 2-methyl-1,4-phenylene ester
cas: 64835-62-7
chemspiderid: 93089
dtxsid: DTXSID3070129
formula: C29H32O4
inchikey: NYWMWXDEVFKTJK-UHFFFAOYSA-N
norman_susdat_id: NS00035749
pubchem_cid: 103037
smiles: CCCCc1ccc(cc1)C(=O)Oc1ccc(OC(=O)c2ccc(CCCC)cc2)c(C)c1
inchi:
InChI=1S/C29H32O4/c1-4-6-8-22-10-14-24(15-11-22)28(30)32-26-18-19-27(21(3)20-26)33-29(31)25-16-12-23(13-17-25)9-7-5-2/h10-20H,4-9H2,1-3H3


name: (S)-1-[3-(acetylthio)-2-methyl-1-oxopropyl]-L-proline
cas: 64838-55-7
chemspiderid: 600399
formula: C11H17N1O4S1
inchikey: ZNQRGUYIKSRYCI-APPZFPTMSA-N
norman_susdat_id: NS00005835
pubchem_cid: 689016
smiles: C[C@H](CSC(C)=O)C(=O)N1CCC[C@H]1C(O)=O
inchi:
InChI=1S/C11H17NO4S/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16/h7,9H,3-6H2,1-2H3,(H,15,16)/t7-,9+/m1/s1


cas: 64839-32-3
chebiid: CHEBI:45660
formula: C23H39NO19
inchikey: CILYIEBUXJIHCO-LPTWSRJFSA-N
norman_susdat_id: NS00071709
pubchem_cid: 448469
name:
2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

inchi:
InChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20-,21-,23-/m0/s1

smiles:
CC(=O)N[C@@H]1[C@@H](O)C[C@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@H](O)[C@H](O)[C@H]3O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO


name: Sodium folate
cas: 6484-89-5
formula: C19H19N7O6.Na
inchikey: SWIRFWUEJODNRG-UHFFFAOYSA-L
norman_susdat_id: NS00082064
smiles: NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O[Na])C(=O)O[Na])cnc2N1
inchi:
InChI=1/C19H19N7O6.2Na/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;;/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30);;/q;2*+1/p-2


name: As-604850
cas: 648449-76-7
formula: C11H5F2NO4S
inchikey: SRLVNYDXMUGOFI-YWEYNIOJSA-N
norman_susdat_id: NS00071986
pubchem_cid: 5287855
smiles: O=C1NC(=O)/C(=C/c2ccc3c(c2)OC(F)(F)O3)S1
inchi:
InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4-


name: 2-[(4-methoxy-2-nitrophenyl)azo]acetoacetanilide
cas: 6486-21-1
dtxsid: DTXSID80863872
formula: C17H17N4O5
inchikey: UQVOMHJSPSUJQA-UHFFFAOYSA-N
norman_susdat_id: NS00047880
pubchem_cid: 110863
smiles: O=C(NC=1C=CC=CC1)C(N=NC2=CC=C(OC)C=C2[N+](=O)[O-])C(=O)C
inchi:
InChI=1/C17H16N4O5/c1-11(22)16(17(23)18-12-6-4-3-5-7-12)20-19-14-9-8-13(26-2)10-15(14)21(24)25/h3-10,16H,1-2H3,(H,18,23)


name: Butanamide, 2-[2-(4-chloro-2-nitrophenyl)diazenyl]-N-(2-chlorophenyl)-3-oxo-
cas: 6486-23-3
chemspiderid: 85129
dtxsid: DTXSID40863873
formula: C16H12Cl2N4O4
inchikey: QTSNFLIDNYOATQ-UHFFFAOYSA-N
norman_susdat_id: NS00003215
pubchem_cid: 94326
smiles: CC(=O)C(N=Nc1ccc(Cl)cc1[N+]([O-])=O)C(=O)Nc1ccccc1Cl
inchi:
InChI=1S/C16H12Cl2N4O4/c1-9(23)15(16(24)19-12-5-3-2-4-11(12)18)21-20-13-7-6-10(17)8-14(13)22(25)26/h2-8,15H,1H3,(H,19,24)


name: 2-[(4-methyl-2-nitrophenyl)azo]-oxo-N-(o-tolyl)butyramide
cas: 6486-24-4
formula: C18H18N4O4
inchikey: UVCNYGKGCXIZDV-UHFFFAOYSA-N
norman_susdat_id: NS00047321
pubchem_cid: 110864
smiles: O=C(NC=1C=CC=CC1C)C(N=NC2=CC=C(C=C2N(=O)=O)C)C(=O)C
inchi:
InChI=1/C18H18N4O4/c1-11-8-9-15(16(10-11)22(25)26)20-21-17(13(3)23)18(24)19-14-7-5-4-6-12(14)2/h4-10,17H,1-3H3,(H,19,24)


name: 2-[(4-chloro-2-nitrophenyl)azo]-N-(2,4-dimethylphenyl)-3-oxobutyramide
cas: 6486-26-6
dtxsid: DTXSID60863875
formula: C18H18ClN4O4
inchikey: GPZGURVRGFCPNQ-UHFFFAOYSA-N
norman_susdat_id: NS00047915
pubchem_cid: 110865
smiles: O=C(NC1=CC=C(C=C1C)C)C(N=NC2=CC=C(Cl)C=C2[N+](=O)[O-])C(=O)C
inchi:
InChI=1/C18H17ClN4O4/c1-10-4-6-14(11(2)8-10)20-18(25)17(12(3)24)22-21-15-7-5-13(19)9-16(15)23(26)27/h4-9,17H,1-3H3,(H,20,25)


name: N-(2,4-dimethylphenyl)-2-[(4-methyl-2-nitrophenyl)azo]-3-oxobutyramide
cas: 6486-27-7
formula: C19H21N4O4
inchikey: LYXFVDLRJONRTM-UHFFFAOYSA-N
norman_susdat_id: NS00047916
pubchem_cid: 110866
smiles: O=C(NC1=CC=C(C=C1C)C)C(N=NC2=CC=C(C=C2[N+](=O)[O-])C)C(=O)C
inchi:
InChI=1/C19H20N4O4/c1-11-5-7-15(13(3)9-11)20-19(25)18(14(4)24)22-21-16-8-6-12(2)10-17(16)23(26)27/h5-10,18H,1-4H3,(H,20,25)


name: 3-Anilino-2-chloro-1H-phenothiazine-1,4(10H)-dione
cas: 6486-67-5
chemspiderid: 73064
dtxsid: DTXSID10215148
formula: C18H11Cl1N2O2S1
inchikey: DWKLDMUHZDDXTN-UHFFFAOYSA-N
norman_susdat_id: NS00021316
pubchem_cid: 80979
smiles: Clc1c(Nc2ccccc2)c(=O)c2=c([nH]c3c(s2)cccc3)c1=O
inchi:
InChI=1S/C18H11ClN2O2S/c19-13-14(20-10-6-2-1-3-7-10)17(23)18-15(16(13)22)21-11-8-4-5-9-12(11)24-18/h1-9,20-21H


name: 2-Anthracenesulfonic acid, 9,10-dihydro-1,4-dihydroxy-9,10-dioxo-3-(4-sulfophenoxy)-
cas: 6486-92-6
chemspiderid: 73065
dtxsid: DTXSID5064386
formula: C20H12O11S2
inchikey: YCNHRWJJRCWZQZ-UHFFFAOYSA-N
norman_susdat_id: NS00021317
pubchem_cid: 80980
smiles: Oc1c2C(=O)c3c(cccc3)C(=O)c2c(O)c(c1Oc1ccc(cc1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C20H12O11S2/c21-15-11-3-1-2-4-12(11)16(22)14-13(15)17(23)19(20(18(14)24)33(28,29)30)31-9-5-7-10(8-6-9)32(25,26)27/h1-8,23-24H,(H,25,26,27)(H,28,29,30)


cas: 64862-95-9
chemspiderid: 93092
dtxsid: DTXSID7070131
formula: C23H18N2O4
inchikey: PGXKXIJWONSRRI-UHFFFAOYSA-N
norman_susdat_id: NS00035755
pubchem_cid: 103040
smiles: COC(=O)c1c(N)c2c(c(Nc3ccc(C)cc3)c1)C(=O)c1c(cccc1)C2=O
name:
2-Anthracenecarboxylic acid, 1-amino-9,10-dihydro-4-[(4-methylphenyl)amino]-9,10-dioxo-, methyl ester

inchi:
InChI=1S/C23H18N2O4/c1-12-7-9-13(10-8-12)25-17-11-16(23(28)29-2)20(24)19-18(17)21(26)14-5-3-4-6-15(14)22(19)27/h3-11,25H,24H2,1-2H3


name: 6-amino-5-[(4-anilinosulfonylphenyl)azo]-4-hydroxynaphthalene-2-sulphonic acid
cas: 64863-81-6
dtxsid: DTXSID10983451
formula: C22H18N4O6S2
inchikey: XPOZNKGQILTOKO-UHFFFAOYSA-N
norman_susdat_id: NS00055929
pubchem_cid: 166076
smiles: O=S(=O)(O)C1=CC(O)=C2C(C=CC(N)=C2N=NC3=CC=C(C=C3)S(=O)(=O)NC=4C=CC=CC4)=C1
inchi:
InChI=1/C22H18N4O6S2/c23-19-11-6-14-12-18(34(30,31)32)13-20(27)21(14)22(19)25-24-15-7-9-17(10-8-15)33(28,29)26-16-4-2-1-3-5-16/h1-13,26-27H,23H2,(H,30,31,32)


cas: 6487-04-3
formula: C28H20N8O14S2
inchikey: OJFUEILETDLNQK-UHFFFAOYSA-L
norman_susdat_id: NS00047322
pubchem_cid: 135854072
name:
Disodium 5-[[2,4-dihydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C28H18N8O14S2.2Na/c37-21-7-5-16(36(43)44)11-19(21)31-33-25-22(38)8-6-18(27(25)39)30-32-20-12-17(51(45,46)47)9-13-10-23(52(48,49)50)26(28(40)24(13)20)34-29-14-1-3-15(4-2-14)35(41)42;;/h1-12,37-40H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(O)=C3C(N=NC4=CC=C(O)C(N=NC5=CC(=CC=C5O)[N+](=O)[O-])=C4O)=CC(=CC3=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1


cas: 6487-05-4
formula: C28H20N8O14S2
inchikey: UNWRVWKEMRFYKZ-UHFFFAOYSA-L
norman_susdat_id: NS00047323
pubchem_cid: 135854074
name:
Disodium 6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulphonatophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C28H18N8O14S2.2Na/c37-22-8-7-19(28(40)24(22)33-32-20-11-17(51(45,46)47)12-21(27(20)39)36(43)44)31-30-15-2-1-13-9-23(52(48,49)50)25(26(38)18(13)10-15)34-29-14-3-5-16(6-4-14)35(41)42;;/h1-12,37-40H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(O)=C3C=C(N=NC4=CC=C(O)C(N=NC=5C=C(C=C(C5O)[N+](=O)[O-])S(=O)(=O)[O-])=C4O)C=CC3=CC2S(=O)(=O)[O-])C=C1


cas: 6487-07-6
dtxsid: DTXSID0064387
formula: C56H28N4O8
inchikey: BZRDLUQFYZMOQM-UHFFFAOYSA-N
norman_susdat_id: NS00046593
pubchem_cid: NA
name:
N,N'-(5,6,7,12,17,18,19,24-octahydro-5,7,12,17,19,24-hexaoxodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-11,23-diyl)bis(benzamide)

inchi:
InChI=1/C56H28N4O8/c61-49-29-15-7-9-17-31(29)51(63)43-41(49)37(57-55(67)25-11-3-1-4-12-25)23-35-27-19-21-33-39(45(27)59-47(35)43)53(65)34-22-20-28-36-24-38(58-56(68)26-13-5-2-6-14-26)42-44(48(36)60-46(28)40(34)54(33)66)52(64)32-18-10-8-16-30(32)50(42)62/h1-24,59-60H,(H,57,67)(H,58,68)

smiles:
O=C(NC=1C=C2C3=CC=C4C(=O)C=5C(=CC=C6C7=CC(NC(=O)C=8C=CC=CC8)=C9C(=O)C=%10C=CC=CC%10C(=O)C9=C7NC65)C(=O)C4=C3NC2=C%11C(=O)C=%12C=CC=CC%12C(=O)C1%11)C=%13C=CC=CC%13


name: Butaconazole
cas: 64872-76-0
chebiid: CHEBI:3240
chemspiderid: 43192
dtxsid: DTXSID2048537
formula: C19H17Cl3N2S1
inchikey: SWLMUYACZKCSHZ-UHFFFAOYSA-N
norman_susdat_id: NS00010194
pubchem_cid: 47472
smiles: Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
inchi:
InChI=1S/C19H17Cl3N2S/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22/h1-5,7-8,10-11,13,16H,6,9,12H2


name: Metampicillin
cas: 6489-97-0
chebiid: CHEBI:52060
chemspiderid: 5145919
dtxsid: DTXSID5048479
formula: C17H19N3O4S1
inchikey: FZECHKJQHUVANE-MCYUEQNJSA-N
norman_susdat_id: NS00011619
pubchem_cid: 6713928
smiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N=C)C(=O)O)C
inchi:
InChI=1S/C17H19N3O4S/c1-17(2)12(16(23)24)20-14(22)11(15(20)25-17)19-13(21)10(18-3)9-7-5-4-6-8-9/h4-8,10-12,15H,3H2,1-2H3,(H,19,21)(H,23,24)/t10-,11-,12+,15-/m1/s1


name: AVE2865
cas: 648917-13-9
chemspiderid: 10631476
dtxsid: DTXSID5047376
formula: C20H17Cl1F3N3O4
inchikey: KAJJGOCSAXKXBD-UHFFFAOYSA-N
norman_susdat_id: NS00015610
pubchem_cid: 12148754
smiles: C1CN(CCC1C(=O)O)C2=C(C=C(C=C2)F)NC(=O)NC(=O)C3=CC(=C(C=C3Cl)F)F
inchi:
InChI=1S/C20H17ClF3N3O4/c21-13-9-15(24)14(23)8-12(13)18(28)26-20(31)25-16-7-11(22)1-2-17(16)27-5-3-10(4-6-27)19(29)30/h1-2,7-10H,3-6H2,(H,29,30)(H2,25,26,28,31)


name: 2-[4-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]vinyl]phenyl]benzoxazole
cas: 64893-28-3
dtxsid: DTXSID7070133
formula: C24H17N3O2
inchikey: YDADFDRLKYUBEW-VOTSOKGWSA-N
norman_susdat_id: NS00055931
pubchem_cid: 6436943
smiles: N=1OC(=NC1C)C=2C=CC(C=CC3=CC=C(C=C3)C4=NC=5C=CC=CC5O4)=CC2
inchi:
InChI=1/C24H17N3O2/c1-16-25-24(29-27-16)20-14-10-18(11-15-20)7-6-17-8-12-19(13-9-17)23-26-21-4-2-3-5-22(21)28-23/h2-15H,1H3


name: Isosorbide dicaprylate
cas: 64896-70-4
chemspiderid: 8676465
dtxsid: DTXSID60215219
formula: C22H38O6
inchikey: BIOGOMUNGWOQHV-UHFFFAOYSA-N
norman_susdat_id: NS00002750
pubchem_cid: 23436801
smiles: CCCCCCCC(=O)OC1COC2C(COC12)OC(=O)CCCCCCC
inchi:
InChI=1S/C22H38O6/c1-3-5-7-9-11-13-19(23)27-17-15-25-22-18(16-26-21(17)22)28-20(24)14-12-10-8-6-4-2/h17-18,21-22H,3-16H2,1-2H3


name: Chlorsulfuron
cas: 64902-72-3
chebiid: CHEBI:3652
chemspiderid: 43209
dtxsid: DTXSID7023980
formula: C12H12Cl1N5O4S1
inchikey: VJYIFXVZLXQVHO-UHFFFAOYSA-N
norman_susdat_id: NS00000107
pubchem_cid: 47491
smiles: CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl
eea_notation: CAS_64902-72-3
inchi:
InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)


name: 4-[(Nonadecafluorodecenyl)oxy]benzenesulfonic acid, sodium salt
cas: 64910-98-1
chemspiderid: NA
dtxsid: DTXSID40881315
formula: C16H5F19O4S1
inchikey: CJGYUIJKVJLYKU-UHFFFAOYSA-N
norman_susdat_id: NS00019180
pubchem_cid: NA
smiles: OS(=O)(=O)C1=CC=C(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)=C(F)F)C=C1
inchi:
InChI=1S/C16H5F19O4S/c17-7(8(18)19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)39-5-1-3-6(4-2-5)40(36,37)38/h1-4H,(H,36,37,38)


name: 4,5-Diamino-2-bromo-1,8-dihydroxyanthraquinone
cas: 64918-92-9
chemspiderid: 4957271
dtxsid: DTXSID30215226
formula: C14H9Br1N2O4
inchikey: OEOBNTWIEVRPDW-UHFFFAOYSA-N
norman_susdat_id: NS00035758
pubchem_cid: 6454985
smiles: Nc1ccc(O)c2c1C(=O)c1c(N)cc(Br)c(O)c1C2=O
inchi:
InChI=1S/C14H9BrN2O4/c15-4-3-6(17)9-11(12(4)19)14(21)10-7(18)2-1-5(16)8(10)13(9)20/h1-3,18-19H,16-17H2


name: 1-Butanesulfonic acid, 4-[(4-amino-3-methylphenyl)(1-methylethyl)amino]-
cas: 64919-33-1
chemspiderid: 88511
dtxsid: DTXSID7070135
formula: C14H24N2O3S1
inchikey: HZRWZAHROYMMFW-UHFFFAOYSA-N
norman_susdat_id: NS00035759
pubchem_cid: 103045
smiles: CC(C)N(CCCCS(=O)(=O)O)c1cc(C)c(N)cc1
inchi:
InChI=1S/C14H24N2O3S/c1-11(2)16(8-4-5-9-20(17,18)19)13-6-7-14(15)12(3)10-13/h6-7,10-11H,4-5,8-9,15H2,1-3H3,(H,17,18,19)


cas: 6492-66-6
formula: C33H27N5O9S
inchikey: WKQBFFCERAGAJK-UHFFFAOYSA-L
norman_susdat_id: NS00047917
pubchem_cid: NA
name:
Disodium 5-[[4-[[6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-3-methylbenzoyl]amino]salicylate

inchi:
InChI=1/C33H27N5O9S.2Na/c1-16-11-18(3-8-25(16)34)31(41)35-21-5-7-23-20(13-21)14-28(48(45,46)47)29(30(23)40)38-37-26-9-4-19(12-17(26)2)32(42)36-22-6-10-27(39)24(15-22)33(43)44;;/h3-15,39-40H,34H2,1-2H3,(H,35,41)(H,36,42)(H,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(=CC=C1O)NC(=O)C2=CC=C(N=NC=3C(O)=C4C=CC(=CC4=CC3S(=O)(=O)[O-])NC(=O)C5=CC=C(N)C(=C5)C)C(=C2)C


cas: 6492-78-0
dtxsid: DTXSID50215228
formula: C37H18F3N3O5S
inchikey: FJYGWZSEFUBVML-UHFFFAOYSA-N
norman_susdat_id: NS00046596
pubchem_cid: NA
name:
N-[4-amino-3-(5,10-dihydro-5,10-dioxoanthra[2,3-d]thiazol-2-yl)-9,10-dihydro-9,10-dioxo-1-anthryl]-3-(trifluoromethyl)benzamide

inchi:
InChI=1/C37H18F3N3O5S/c38-37(39,40)17-7-5-6-16(12-17)35(48)42-26-14-24(30(41)29-28(26)33(46)20-10-3-4-11-21(20)34(29)47)36-43-25-13-22-23(15-27(25)49-36)32(45)19-9-2-1-8-18(19)31(22)44/h1-15H,41H2,(H,42,48)

smiles:
O=C(NC=1C=C(C2=NC3=CC=4C(=O)C=5C=CC=CC5C(=O)C4C=C3S2)C(N)=C6C(=O)C=7C=CC=CC7C(=O)C16)C8=CC=CC(=C8)C(F)(F)F


name: 4,4'-dichloro-2,2'-dimethoxy-5,5'-dimethyl-a,a'-terephthaloyldiacetanilide
cas: 6492-81-5
dtxsid: DTXSID40983500
formula: C28H26Cl2N2O6
inchikey: VXHLISXRMLVWHM-UHFFFAOYSA-N
norman_susdat_id: NS00047932
pubchem_cid: 80989
smiles: O=C(NC1=CC(=C(Cl)C=C1OC)C)CC(=O)C2=CC=C(C=C2)C(=O)CC(=O)NC3=CC(=C(Cl)C=C3OC)C
inchi:
InChI=1/C28H26Cl2N2O6/c1-15-9-21(25(37-3)11-19(15)29)31-27(35)13-23(33)17-5-7-18(8-6-17)24(34)14-28(36)32-22-10-16(2)20(30)12-26(22)38-4/h5-12H,13-14H2,1-4H3,(H,31,35)(H,32,36)


name: 4-Heptyldiphenylamine
cas: 64924-62-5
chemspiderid: 93098
dtxsid: DTXSID2070136
formula: C19H25N1
inchikey: FHJMSDCQQHIAFG-UHFFFAOYSA-N
norman_susdat_id: NS00022625
pubchem_cid: 103047
smiles: CCCCCCCc1ccc(Nc2ccccc2)cc1
inchi:
InChI=1S/C19H25N/c1-2-3-4-5-7-10-17-13-15-19(16-14-17)20-18-11-8-6-9-12-18/h6,8-9,11-16,20H,2-5,7,10H2,1H3


name: 4,4'-Diheptyldiphenylamine
cas: 64924-65-8
chemspiderid: 93099
dtxsid: DTXSID7070139
formula: C26H39N1
inchikey: TVDZNGHKRSKPCD-UHFFFAOYSA-N
norman_susdat_id: NS00020686
pubchem_cid: 103048
smiles: CCCCCCCc1ccc(Nc2ccc(CCCCCCC)cc2)cc1
inchi:
InChI=1S/C26H39N/c1-3-5-7-9-11-13-23-15-19-25(20-16-23)27-26-21-17-24(18-22-26)14-12-10-8-6-4-2/h15-22,27H,3-14H2,1-2H3


name: 2-(6-Methyl-2-quinolyl)-1H-indene-1,3(2H)-dione
cas: 6493-58-9
chemspiderid: 73072
dtxsid: DTXSID70215245
formula: C19H13N1O2
inchikey: VAIIGTVFJAYEKS-UHFFFAOYSA-N
norman_susdat_id: NS00035764
pubchem_cid: 80991
smiles: Cc1cc2ccc(nc2cc1)C1C(=O)c2ccccc2C1=O
inchi:
InChI=1S/C19H13NO2/c1-11-6-8-15-12(10-11)7-9-16(20-15)17-18(21)13-4-2-3-5-14(13)19(17)22/h2-10,17H,1H3


name: Latamoxef | Moxalactam
cas: 64952-97-2
chebiid: CHEBI:94604
dtxsid: DTXSID60860804
formula: C20H20N6O9S
inchikey: JWCSIUVGFCSJCK-LIUKBUMOSA-N
norman_susdat_id: NS00069354
pubchem_cid: 5488645
smiles: CO[C@@]1(NC(=O)[C@H](C(=O)O)c2ccc(O)cc2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CO[C@@H]21
inchi:
InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12-,18-,20+/m1/s1


name: Moxalactam
cas: 64953-12-4
chebiid: CHEBI:599928
chemspiderid: 43215
formula: C20H20N6O9S1
inchikey: JWCSIUVGFCSJCK-CAVRMKNVSA-N
norman_susdat_id: NS00011558
pubchem_cid: 47499
smiles: Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C(c4ccc(cc4)O)C(=O)O)OC)OC2)C(=O)O
inchi:
InChI=1S/C20H20N6O9S/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32)/t12?,18-,20+/m1/s1


name: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)phenyl](diphenyl)methanol
cas: 649561-66-0
chemspiderid: 17345685
dtxsid: DTXSID80584838
formula: C29H19F17O1
inchikey: ONXVYKQEANDRAX-UHFFFAOYSA-N
norman_susdat_id: NS00019181
pubchem_cid: 16218249
inchi:
InChI=1S/C29H19F17O/c30-21(31,23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46)16-15-17-11-13-20(14-12-17)22(47,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,47H,15-16H2

smiles:
OC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1


name: R-1 Methanandamide phosphate
cas: 649569-33-5
chemspiderid: 29342142
formula: C23H40N1O5P1
inchikey: LONSAFDJFAGAFZ-FQPARAGTSA-N
norman_susdat_id: NS00017197
pubchem_cid: 35026345
smiles: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC(C)COP(=O)(O)O
inchi:
InChI=1S/C23H40NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)24-22(2)21-29-30(26,27)28/h7-8,10-11,13-14,16-17,22H,3-6,9,12,15,18-21H2,1-2H3,(H,24,25)(H2,26,27,28)/b8-7-,11-10-,14-13-,17-16-/t22-/m1/s1


name: Sodium (Z)-5-methoxy-2-[(1-oxooctadec-9-enyl)amino]benzenesulphonate
cas: 64957-95-5
dtxsid: DTXSID1070141
formula: C25H41NO5S
inchikey: YXCYPUZLXBBLLT-GMFCBQQYSA-M
norman_susdat_id: NS00056754
pubchem_cid: NA
smiles: [Na+].O=C(NC1=CC=C(OC)C=C1S(=O)(=O)[O-])CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C25H41NO5S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(27)26-23-20-19-22(31-2)21-24(23)32(28,29)30;/h10-11,19-21H,3-9,12-18H2,1-2H3,(H,26,27)(H,28,29,30);/q;+1/p-1


name: N-[N-[N-(N-L-tyrosyl-D-alanyl)glycyl]-L-phenylalanyl]-L-leucine
cas: 64963-01-5
formula: C29H39N5O7
inchikey: ZHUJMSMQIPIPTF-JMBSJVKXSA-N
norman_susdat_id: NS00055427
pubchem_cid: 10099522
smiles: O=C(O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(N)CC1=CC=C(O)C=C1)C)CC=2C=CC=CC2)CC(C)C
inchi:
InChI=1/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)


name: .beta.-Alanine, N-(2-carboxyethyl)-N-[3-(decyloxy)propyl]-, monosodium salt
cas: 64972-19-6
chemspiderid: 93104
dtxsid: DTXSID1070143
formula: C19H37N1O5
inchikey: DQINEZCYJSFZBL-UHFFFAOYSA-M
norman_susdat_id: NS00019414
pubchem_cid: 23677319
smiles: [Na+].CCCCCCCCCCOCCCN(CCC(=O)O)CCC(=O)[O-]
inchi:
InChI=1S/C19H37NO5/c1-2-3-4-5-6-7-8-9-16-25-17-10-13-20(14-11-18(21)22)15-12-19(23)24/h2-17H2,1H3,(H,21,22)(H,23,24)


name: Brivanib
cas: 649735-46-6
chebiid: CHEBI:94562
dtxsid: DTXSID60215294
formula: C19H19FN4O3
inchikey: WCWUXEGQKLTGDX-LLVKDONJSA-N
norman_susdat_id: NS00070985
pubchem_cid: 11234052
smiles: Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1
inchi:
InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1


name: Brivanib alaninate
cas: 649735-63-7
chebiid: CHEBI:167656
dtxsid: DTXSID20215295
formula: C22H24FN5O4
inchikey: LTEJRLHKIYCEOX-OCCSQVGLSA-N
norman_susdat_id: NS00071884
pubchem_cid: 11154925
smiles: Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)[C@H](C)N)c(C)c34)ccc2[nH]1
inchi:
InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14+/m1/s1


name: Sodium 1-amino-9,10-dihydro-4-[[(4-methylphenyl)sulphonyl]amino]-9,10-dioxoanthracene-2-sulphonate
cas: 64981-00-6
formula: C21H16N2O7S2.Na
inchikey: RAMQOEBTONSQRF-UHFFFAOYSA-M
norman_susdat_id: NS00087880
smiles: [Na+].Cc1ccc(cc1)S(=O)(=O)Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-]
inchi:
InChI=1/C21H16N2O7S2.Na/c1-11-6-8-12(9-7-11)31(26,27)23-15-10-16(32(28,29)30)19(22)18-17(15)20(24)13-4-2-3-5-14(13)21(18)25;/h2-10,23H,22H2,1H3,(H,28,29,30);/q;+1/p-1


name: N-(4-Carboxycyclohexylmethyl)maleimide N-hydroxysuccinimide ester
cas: 64987-85-5
chebiid: CHEBI:63174
chemspiderid: 111419
dtxsid: DTXSID30215307
formula: C16H18N2O6
inchikey: JJAHTWIKCUJRDK-UHFFFAOYSA-N
norman_susdat_id: NS00035769
pubchem_cid: 125175
smiles: O=C(ON1C(=O)CCC1=O)C1CCC(CN2C(=O)C=CC2=O)CC1
inchi:
InChI=1S/C16H18N2O6/c19-12-5-6-13(20)17(12)9-10-1-3-11(4-2-10)16(23)24-18-14(21)7-8-15(18)22/h5-6,10-11H,1-4,7-9H2/t10-,11-


name: Methyl-1-testosterone
cas: 65-04-3
dtxsid: DTXSID20879831
formula: C20H30O2
inchikey: JRNSSSJKIGAFCT-YDSAWKJFSA-N
norman_susdat_id: NS00069759
pubchem_cid: 7092657
smiles: C[C@]12C=CC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
inchi:
InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,13,15-17,22H,4-5,7-8,10-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1


name: 1-Testosterone
cas: 65-06-5
chemspiderid: 206590
dtxsid: DTXSID80215312
formula: C19H28O2
inchikey: OKJCFMUGMSVJBG-UHFFFAOYSA-N
norman_susdat_id: NS00040580
pubchem_cid: 236666
smiles: CC12CCC3C(CCC4CC(=O)C=CC34C)C1CCC2O
inchi:
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3


name: Phentolamine mesilate
cas: 65-28-1
formula: C17H19N3O.CH4O3S
inchikey: OGIYDFVHFQEFKQ-UHFFFAOYSA-N
norman_susdat_id: NS00078829
smiles: Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(O)c3.CS(=O)(=O)O
inchi:
InChI=1/C17H19N3O.CH4O3S/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;1-5(2,3)4/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H3,(H,2,3,4)


name: Gallamine triethiodide
cas: 65-29-2
dtxsid: DTXSID5023089
formula: C30H60N3O3
inchikey: REEUVFCVXKWOFE-UHFFFAOYSA-K
norman_susdat_id: NS00041180
pubchem_cid: 6172
smiles: [I-].[I-].[I-].O(C1=CC=CC(OCC[N+](CC)(CC)CC)=C1OCC[N+](CC)(CC)CC)CC[N+](CC)(CC)CC
inchi:
InChI=1/C30H60N3O3.3HI/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9;;;/h19-21H,10-18,22-27H2,1-9H3;3*1H/q+3;;;/p-3


name: Nicotine sulphate
cas: 65-30-5
formula: C10H14N2.1/2H2O4S
inchikey: YHRJAJWWHFGBMV-PPHPATTJSA-N
norman_susdat_id: NS00079076
smiles: CN1CCC[C@H]1c2cccnc2.OS(=O)(=O)O
inchi:
InChI=1/C10H14N2.H2O4S/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;1-5(2,3)4/h2,4,6,8,10H,3,5,7H2,1H3;(H2,1,2,3,4)


name: Nicotine dihydrogen ditartrate
cas: 65-31-6
formula: C10H14N2.2C4H6O6
inchikey: QLDPCHZQQIASHX-UHFFFAOYSA-N
norman_susdat_id: NS00079077
smiles: CN1CCCC1c2cccnc2.OC(C(O)C(=O)O)C(=O)O
inchi:
InChI=1/C10H14N2.C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)


name: Cytidine 5'-(tetrahydrogen triphosphate)
cas: 65-47-4
dtxsid: DTXSID70889324
formula: C9H16N3O14P3
inchikey: PCDQPRRSZKQHHS-UHFFFAOYSA-N
norman_susdat_id: NS00041321
pubchem_cid: 593
smiles: O=C1N=C(N)C=CN1C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O
inchi:
InChI=1/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)


name: Decyl 2-nitrobenzoate
cas: 6500-28-3
chemspiderid: 73077
dtxsid: DTXSID00215319
formula: C17H25N1O4
inchikey: SJJAUALFDHHSCH-UHFFFAOYSA-N
norman_susdat_id: NS00035775
pubchem_cid: 80996
smiles: CCCCCCCCCCOC(=O)c1c(cccc1)[N+](=O)[O-]
inchi:
InChI=1S/C17H25NO4/c1-2-3-4-5-6-7-8-11-14-22-17(19)15-12-9-10-13-16(15)18(20)21/h9-10,12-13H,2-8,11,14H2,1H3


name: Ethacrynate sodium [USAN:USP]
cas: 6500-81-8
dtxsid: DTXSID10215320
formula: C13H11Cl2NaO4
inchikey: CWCSCNSKBSCYCS-UHFFFAOYSA-M
norman_susdat_id: NS00076177
smiles: [Na+].CCC(=C)C(=O)C1=C(Cl)C(Cl)=C(OCC([O-])=O)C=C1
inchi:
InChI=1S/C13H12Cl2O4.Na/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17;/h4-5H,2-3,6H2,1H3,(H,16,17);/q;+1/p-1


name: Propanamide, 3-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]-N-ethyl-
cas: 65000-33-1
chemspiderid: 93107
dtxsid: DTXSID6070146
formula: C20H22N6O3
inchikey: ZMCMFCFTNCYBBL-UHFFFAOYSA-N
norman_susdat_id: NS00035772
pubchem_cid: 103061
smiles: CCNC(=O)CCN(CCC#N)c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C20H22N6O3/c1-2-22-20(27)12-15-25(14-3-13-21)18-8-4-16(5-9-18)23-24-17-6-10-19(11-7-17)26(28)29/h4-11H,2-3,12,14-15H2,1H3,(H,22,27)/b24-23-


name: 2-Naphthalenesulfonic acid, 6,6'-[carbonylbis[imino(1-hydroxy-6,2-naphthalenediyl)azo]]bis-
cas: 65000-34-2
chemspiderid: 4590407
dtxsid: DTXSID1070147
formula: C41H28N6O9S2
inchikey: LYTFFOOKDMWMJO-UHFFFAOYSA-N
norman_susdat_id: NS00035773
pubchem_cid: NA
inchi:
InChI=1S/C41H28N6O9S2/c48-39-35-13-9-29(19-27(35)5-15-37(39)46-44-31-7-1-25-21-33(57(51,52)53)11-3-23(25)17-31)42-41(50)43-30-10-14-36-28(20-30)6-16-38(40(36)49)47-45-32-8-2-26-22-34(58(54,55)56)12-4-24(26)18-32/h1-22,44-45H,(H2,42,43,50)(H,51,52,53)(H,54,55,56)/b46-37-,47-38+

smiles:
OS(=O)(=O)c1cc2c(cc1)cc(N/N=C1/C=Cc3c(ccc(NC(=O)Nc4cc5c(cc4)C(=O)/C(=N/Nc4cc6c(cc4)cc(cc6)S(=O)(=O)O)/C=C5)c3)C1=O)cc2


name: 9,10-Anthracenedione, 1-(ethylamino)-4-(methylamino)-
cas: 65000-36-4
chemspiderid: 93108
dtxsid: DTXSID6070148
formula: C17H16N2O2
inchikey: JOIIEYIBZDNPMY-UHFFFAOYSA-N
norman_susdat_id: NS00035774
pubchem_cid: 103062
smiles: CCNc1ccc(NC)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C17H16N2O2/c1-3-19-13-9-8-12(18-2)14-15(13)17(21)11-7-5-4-6-10(11)16(14)20/h4-9,18-19H,3H2,1-2H3


name: 4-amino-5-(aminosulphonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxybenzamide monohydrochloride
cas: 65016-40-2
dtxsid: DTXSID60983562
formula: C15H24N4O4S
inchikey: LEKRQEMMNBTHIL-UHFFFAOYSA-N
norman_susdat_id: NS00055973
pubchem_cid: 3017548
smiles: Cl.O=C(NCC1N(CC)CCC1)C=2C=C(C(N)=CC2OC)S(=O)(=O)N
inchi:
InChI=1/C15H24N4O4S.ClH/c1-3-19-6-4-5-10(19)9-18-15(20)11-7-14(24(17,21)22)12(16)8-13(11)23-2;/h7-8,10H,3-6,9,16H2,1-2H3,(H,18,20)(H2,17,21,22);1H


name: 2-methoxy-4-[(3-sulphophenyl)azo]benzenediazonium chloride
cas: 65036-53-5
dtxsid: DTXSID00886705
formula: C13H11N4O4S
inchikey: FRRQBDLPAXENAY-UHFFFAOYSA-N
norman_susdat_id: NS00055974
pubchem_cid: 103064
smiles: [Cl-].N#[N+]C1=CC=C(N=NC2=CC=CC(=C2)S(=O)(=O)O)C=C1OC
inchi:
InChI=1/C13H10N4O4S.ClH/c1-21-13-8-10(5-6-12(13)15-14)17-16-9-3-2-4-11(7-9)22(18,19)20;/h2-8H,1H3;1H


cas: 65036-66-0
chemspiderid: 93117
dtxsid: DTXSID0070154
formula: C19H18Cl1N3O4S1
inchikey: CJLLDOWWBVHSAO-UHFFFAOYSA-N
norman_susdat_id: NS00035779
pubchem_cid: 103072
smiles: CN(C)c1ccc(/C=C/2C(=NN(C2=O)c2c(Cl)ccc(c2)S(=O)(=O)O)C)cc1
name:
Benzenesulfonic acid, 4-chloro-3-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-

inchi:
InChI=1S/C19H18ClN3O4S/c1-12-16(10-13-4-6-14(7-5-13)22(2)3)19(24)23(21-12)18-11-15(28(25,26)27)8-9-17(18)20/h4-11H,1-3H3,(H,25,26,27)/b16-10+


name: Disodium 4,4'-bis[(4-methoxyphenyl)azo]stilbene-2,2'-disulphonate
cas: 65036-69-3
dtxsid: DTXSID40889836
formula: C28H24N4O8S2
inchikey: BIDQMYJLSAMNRO-ZCKCZGSLSA-L
norman_susdat_id: NS00055857
pubchem_cid: 6436948
inchi:
InChI=1/C28H24N4O8S2.2Na/c1-39-25-13-9-21(10-14-25)29-31-23-7-5-19(27(17-23)41(33,34)35)3-4-20-6-8-24(18-28(20)42(36,37)38)32-30-22-11-15-26(40-2)16-12-22;;/h3-18H,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(N=NC2=CC=C(OC)C=C2)=CC=C1C=CC3=CC=C(N=NC4=CC=C(OC)C=C4)C=C3S(=O)(=O)[O-]


name: 4-[3-hydroxy-3-phenyl-3-(2-thienyl)propyl]-4-methylmorpholinium methyl sulphate
cas: 6504-57-0
formula: C18H24NO2S.CH3O4S
inchikey: JPOKDEDHVLJMIJ-UHFFFAOYSA-M
norman_susdat_id: NS00082106
smiles: COS(=O)(=O)[O-].C[N+]1(CCC(O)(c2ccccc2)c3cccs3)CCOCC1
inchi:
InChI=1/C18H24NO2S.CH4O4S/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16;1-5-6(2,3)4/h2-8,15,20H,9-14H2,1H3;1H3,(H,2,3,4)/q+1;/p-1


name: 1-mercapto-2-(4-nonylphenoxy)ethyl hydrogen phosphorodithioate
cas: 65045-86-5
dtxsid: DTXSID0070158
formula: C17H29O3PS3
inchikey: PLMRGKRVEQBHRP-UHFFFAOYSA-M
norman_susdat_id: NS00055915
pubchem_cid: NA
smiles: O=P([S-])(S)OC(S)COC1=CC=C(C=C1)CCCCCCCCC
inchi:
InChI=1/C17H29O3PS3/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)19-14-17(22)20-21(18,23)24/h10-13,17,22H,2-9,14H2,1H3,(H2,18,23,24)/p-1


name: 1-mercapto-2-(4-nonylphenoxy)ethyl hydrogen phosphorodithioate, zinc salt
cas: 65045-87-6
formula: C34H55O4PS2.1/2Zn
inchikey: DISUZFWYXMQJBN-UHFFFAOYSA-M
norman_susdat_id: NS00088560
smiles: [Zn+2].CCCCCCCCCc1ccc(OCC(S)OP(=O)(S)[S-])cc1
inchi:
InChI=1/C17H29O3PS3.Zn/c1-2-3-4-5-6-7-8-9-15-10-12-16(13-11-15)19-14-17(22)20-21(18,23)24;/h10-13,17,22H,2-9,14H2,1H3,(H2,18,23,24);/q;+2/p-1


cas: 6505-12-0
dtxsid: DTXSID40889558
formula: C37H30N8O10S2
inchikey: KORMHKTWOJTCBN-UHFFFAOYSA-K
norman_susdat_id: NS00047934
pubchem_cid: NA
name:
Trisodium 5-[[4'-[[8-[(2,4-diaminophenyl)azo]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C37H30N8O10S2.3Na/c1-18-11-20(3-7-28(18)41-40-24-6-10-32(46)26(16-24)37(48)49)21-4-8-29(19(2)12-21)42-45-35-33(57(53,54)55)14-22-13-25(56(50,51)52)17-31(34(22)36(35)47)44-43-30-9-5-23(38)15-27(30)39;;;/h3-17,46-47H,38-39H2,1-2H3,(H,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2C)C3=CC=C(N=NC=4C(O)=C5C(N=NC6=CC=C(N)C=C6N)=CC(=CC5=CC4S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C3)C)=CC=C1O


name: 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-N-phenylbutyramide]
cas: 6505-28-8
dtxsid: DTXSID60863890
formula: C34H32N6O6
inchikey: DMPXHEMGDYKSFL-UHFFFAOYSA-N
norman_susdat_id: NS00047935
pubchem_cid: 110869
smiles: O=C(NC=1C=CC=CC1)C(N=NC=2C=CC(=CC2OC)C3=CC=C(N=NC(C(=O)NC=4C=CC=CC4)C(=O)C)C(OC)=C3)C(=O)C
inchi:
InChI=1/C34H32N6O6/c1-21(41)31(33(43)35-25-11-7-5-8-12-25)39-37-27-17-15-23(19-29(27)45-3)24-16-18-28(30(20-24)46-4)38-40-32(22(2)42)34(44)36-26-13-9-6-10-14-26/h5-20,31-32H,1-4H3,(H,35,43)(H,36,44)


cas: 6505-29-9
dtxsid: DTXSID50884317
formula: C34H30N8O4
inchikey: ROBHRZYBQRKAQY-UHFFFAOYSA-N
norman_susdat_id: NS00046613
pubchem_cid: 110870
smiles: O=C1N(N=C(C)C1N=NC=2C=CC(=CC2OC)C3=CC=C(N=NC4C(=O)N(N=C4C)C=5C=CC=CC5)C(OC)=C3)C=6C=CC=CC6
name:
4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one]

inchi:
InChI=1/C34H30N8O4/c1-21-31(33(43)41(39-21)25-11-7-5-8-12-25)37-35-27-17-15-23(19-29(27)45-3)24-16-18-28(30(20-24)46-4)36-38-32-22(2)40-42(34(32)44)26-13-9-6-10-14-26/h5-20,31-32H,1-4H3


cas: 6505-30-2
chemspiderid: 19991328
dtxsid: DTXSID40887630
formula: C43H51N3O6S2
inchikey: MDCPAFXBQFENEV-UHFFFAOYSA-N
norman_susdat_id: NS00013507
pubchem_cid: 21125050
name:
Benzenesulfonic acid, 3,3'-[[[4-(diethylamino)phenyl]methylene]bis[(3-methyl-4,1-phenylene)(ethylimino)methylene]]bis-

inchi:
InChI=1S/C43H49N3O6S2.Na/c1-7-44(8-2)36-19-17-35(18-20-36)43(41-23-21-37(25-31(41)5)45(9-3)29-33-13-11-15-39(27-33)53(47,48)49)42-24-22-38(26-32(42)6)46(10-4)30-34-14-12-16-40(28-34)54(50,51)52;/h11-28H,7-10,29-30H2,1-6H3,(H-,47,48,49,50,51,52);/q;+1

smiles:
[Na+].CCN(CC)c1ccc(cc1)[C+](c2ccc(cc2C)N(CC)Cc3cccc(c3)[S](O)(=O)=O)c4ccc(cc4C)N(CC)Cc5cccc(c5)[S]([O-])(=O)=O


name: 4-((4-Aminobenzoyl)amino)-5-hydroxynaphthalene-2,7-disulphonic acid
cas: 6505-35-7
chemspiderid: 73081
dtxsid: DTXSID30215367
formula: C17H14N2O8S2
inchikey: BDHMHVFXQQVGII-UHFFFAOYSA-N
norman_susdat_id: NS00035780
pubchem_cid: 81000
smiles: Nc1ccc(cc1)C(=O)Nc1cc(cc2cc(cc(O)c12)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C17H14N2O8S2/c18-11-3-1-9(2-4-11)17(21)19-14-7-12(28(22,23)24)5-10-6-13(29(25,26)27)8-15(20)16(10)14/h1-8,20H,18H2,(H,19,21)(H,22,23,24)(H,25,26,27)


name: 2-(5-oxobenzo[4,5]phenaleno[1,9-bc]thien-2(5H)-ylidenebenzo[4,5]phenaleno[1,9-bc]thiophen-5(2H)-one
cas: 6505-58-4
dtxsid: DTXSID20983588
formula: C36H18O2S2
inchikey: DWQHDJBVNXQBQH-UHFFFAOYSA-N
norman_susdat_id: NS00047936
pubchem_cid: NA
smiles: O=C1C=C(C=CC=C)C2=CC=C3SC(=C4SC=5C=CC=6C=7C=CC=CC7C(=O)C8=CC=C4C5C86)C=9C=CC1=C2C39
inchi:
InChI=1/C36H18O2S2/c1-2-3-6-18-17-27(37)23-9-11-25-32-28(15-13-19(18)30(23)32)39-35(25)36-26-12-10-24-31-21(14-16-29(40-36)33(26)31)20-7-4-5-8-22(20)34(24)38/h2-17H,1H2


cas: 6505-96-0
formula: C24H21N3O10S3
inchikey: CHVCXJYKVWHEBR-UHFFFAOYSA-L
norman_susdat_id: NS00047291
pubchem_cid: 135755598
name:
Disodium 4-hydroxy-3-[(2-methoxyphenyl)azo]-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate

inchi:
InChI=1/C24H21N3O10S3.2Na/c1-14-7-9-16(10-8-14)38(29,30)27-19-13-17(39(31,32)33)11-15-12-21(40(34,35)36)23(24(28)22(15)19)26-25-18-5-3-4-6-20(18)37-2;;/h3-13,27-28H,1-2H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C=CC=CC3OC)C(O)=C2C(=C1)NS(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)[O-]


name: Cefetamet
cas: 65052-63-3
chebiid: CHEBI:135629
chemspiderid: 4589562
dtxsid: DTXSID00867110
formula: C14H15N5O5S2
inchikey: MQLRYUCJDNBWMV-GHXIOONMSA-N
norman_susdat_id: NS00001481
pubchem_cid: 5487888
smiles: CC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)O
inchi:
InChI=1S/C14H15N5O5S2/c1-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24-2)6-4-26-14(15)16-6/h4,8,12H,3H2,1-2H3,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1


name: N-(tert-butoxycarbonyl)-1-(p-tosyl)-L-histidine, compound with dicyclohexylamine (1:1)
cas: 65057-34-3
dtxsid: DTXSID70215381
formula: C18H23N3O6S
inchikey: RNRUVXUHYUOWJW-RSAXXLAASA-N
norman_susdat_id: NS00055496
pubchem_cid: 4618294
smiles: O=C(OC(C)(C)C)NC(C(=O)O)CC=1N=CN(C1)S(=O)(=O)C2=CC=C(C=C2)C.N(C1CCCCC1)C2CCCCC2
inchi:
InChI=1/C18H23N3O6S.C12H23N/c1-12-5-7-14(8-6-12)28(25,26)21-10-13(19-11-21)9-15(16(22)23)20-17(24)27-18(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,10-11,15H,9H2,1-4H3,(H,20,24)(H,22,23);11-13H,1-10H2


name: Trimethyltetradecylammonium methyl sulphate
cas: 65059-43-0
formula: C17H38N.CH3O4S
inchikey: VXBSKVAMQMBCCA-UHFFFAOYSA-M
norman_susdat_id: NS00088327
smiles: CCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-]
inchi:
InChI=1/C17H38N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5-6(2,3)4/h5-17H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: 1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-[3-(2-methoxyethoxy)propyl]-
cas: 65059-45-2
chemspiderid: 86784
dtxsid: DTXSID4070162
formula: C22H21N3O6
inchikey: SOYBSGQXDYYMDH-UHFFFAOYSA-N
norman_susdat_id: NS00019834
pubchem_cid: 103086
smiles: COCCOCCCn1c(=O)c2c(N)c3c(c(N)c2c1=O)c(=O)c1c(cccc1)c3=O
inchi:
InChI=1S/C22H21N3O6/c1-30-9-10-31-8-4-7-25-21(28)15-16(22(25)29)18(24)14-13(17(15)23)19(26)11-5-2-3-6-12(11)20(14)27/h2-3,5-6H,4,7-10,23-24H2,1H3


cas: 65059-52-1
dtxsid: DTXSID80886708
formula: C25H22N4O8S2
inchikey: ZYEKPKUEHLUSET-UHFFFAOYSA-N
norman_susdat_id: NS00055422
pubchem_cid: 103087
smiles: O=C1C(=CC=CC=CC2C(=O)N(N=C2C)C3=CC=C(C=C3)S(=O)(=O)O)C(=NN1C4=CC=C(C=C4)S(=O)(=O)O)C
name:
p-[4-[5-[1,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-4H-pyrazol-4-ylidene]penta-1,3-dienyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C25H22N4O8S2/c1-16-22(24(30)28(26-16)18-8-12-20(13-9-18)38(32,33)34)6-4-3-5-7-23-17(2)27-29(25(23)31)19-10-14-21(15-11-19)39(35,36)37/h3-15,22H,1-2H3,(H,32,33,34)(H,35,36,37)


name: QUATERNIUM-82
cas: 65059-61-2
chemspiderid: 4941557
formula: C51H99N2O6
inchikey: IGLUFNLCRKHLAW-QCVYVALUSA-N
norman_susdat_id: NS00014034
pubchem_cid: NA
inchi:
InChI=1S/C51H99N2O6.CH4O4S/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-50(56)58-48(5)43-52(42-46(3)54)40-41-53(7,44-47(4)55)45-49(6)59-51(57)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2;1-5-6(2,3)4/h21-24,46-49,54-55H,8-20,25-45H2,1-7H3;1H3,(H,2,3,4)/q+1;/p-1/b23-21+,24-22+;

smiles:
CCCCCCCC/C=C/CCCCCCCC(=O)OC(C)CN(CC[N+](C)(CC(C)O)CC(C)OC(=O)CCCCCCCCC=CCCCCCCC)CC(C)O.CO[S]([O-])(=O)=O


name: Benzylbis(2-hydroxypropyl)octadecadienylammonium chloride
cas: 65059-63-4
formula: C31H54NO2
inchikey: CGKBBLKWUMIWDW-UHFFFAOYSA-M
norman_susdat_id: NS00056407
pubchem_cid: 53430993
smiles: [Cl-].OC(C)C[N+](C=CC=CCCCCCCCCCCCCCC)(CC=1C=CC=CC1)CC(O)C
inchi:
InChI=1/C31H54NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32(26-29(2)33,27-30(3)34)28-31-23-20-19-21-24-31;/h17-25,29-30,33-34H,4-16,26-28H2,1-3H3;1H/q+1;/p-1


name: Benzylbis(2-hydroxypropyl)octadecenylammonium chloride
cas: 65059-64-5
dtxsid: DTXSID20983609
formula: C31H56NO2
inchikey: DDYHZEVGSWCEFC-UHFFFAOYSA-M
norman_susdat_id: NS00055423
pubchem_cid: 53442117
smiles: [Cl-].OC(C)C[N+](C=CCCCCCCCCCCCCCCCC)(CC=1C=CC=CC1)CC(O)C
inchi:
InChI=1/C31H56NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32(26-29(2)33,27-30(3)34)28-31-23-20-19-21-24-31;/h19-25,29-30,33-34H,4-18,26-28H2,1-3H3;1H/q+1;/p-1


cas: 65059-79-2
dtxsid: DTXSID1095404
norman_susdat_id: NS00109484
name:
1-Butene, 4-bromo-3,3,4,4-tetrafluoro-, polymer with 1,1-difluoroethene, 1,1,2,2-tetrafluoroethene and 1,1,2-trifluoro-2-(trifluoromethoxy)ethene


cas: 65059-84-9
chemspiderid: 93128
dtxsid: DTXSID9070165
formula: C26H27Cl2N7O4
inchikey: JGDSMFUIOOPEIQ-UHFFFAOYSA-N
norman_susdat_id: NS00035782
pubchem_cid: 103093
smiles: CCN(CC)c1cc(NC(=O)C)c(cc1)N=Nc1cc(C)c(cc1OC)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]
name:
Acetamide, N-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-2-methoxy-5-methylphenyl]azo]-5-(diethylamino)phenyl]-

inchi:
InChI=1S/C26H27Cl2N7O4/c1-6-34(7-2)17-8-9-21(23(13-17)29-16(4)36)30-32-24-10-15(3)22(14-25(24)39-5)31-33-26-19(27)11-18(35(37)38)12-20(26)28/h8-14H,6-7H2,1-5H3,(H,29,36)/b32-30+,33-31+


name: Heptadecyldimethylammonium acetate
cas: 65059-85-0
formula: C19H41N.C2H4O2
inchikey: XQTKRVLVKHEJDX-UHFFFAOYSA-N
norman_susdat_id: NS00087672
smiles: CCCCCCCCCCCCCCCCC[NH+](C)C.CC(=O)[O-]
inchi:
InChI=1/C19H41N.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;1-2(3)4/h4-19H2,1-3H3;1H3,(H,3,4)


name: .beta.-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-N-[2-(acetyloxy)ethyl]-, methyl ester
cas: 65059-88-3
chemspiderid: 93130
dtxsid: DTXSID9070167
formula: C17H24N2O6
inchikey: NTQZWYMCQHRHSU-UHFFFAOYSA-N
norman_susdat_id: NS00035783
pubchem_cid: 103095
smiles: COC(=O)CCN(CCOC(=O)C)c1cc(NC(=O)C)ccc1OC
inchi:
InChI=1S/C17H24N2O6/c1-12(20)18-14-5-6-16(23-3)15(11-14)19(8-7-17(22)24-4)9-10-25-13(2)21/h5-6,11H,7-10H2,1-4H3,(H,18,20)


name: Benzyldodecylbis(2-hydroxypropyl)ammonium chloride
cas: 65059-91-8
dtxsid: DTXSID10886711
formula: C25H46NO2
inchikey: DMKGBWJRTCHMCP-UHFFFAOYSA-M
norman_susdat_id: NS00055550
pubchem_cid: 103099
smiles: [Cl-].OC(C)C[N+](CC=1C=CC=CC1)(CCCCCCCCCCCC)CC(O)C
inchi:
InChI=1/C25H46NO2.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-26(20-23(2)27,21-24(3)28)22-25-17-14-13-15-18-25;/h13-15,17-18,23-24,27-28H,4-12,16,19-22H2,1-3H3;1H/q+1;/p-1


name: Benzylbis(2-hydroxypropyl)octadecylammonium chloride
cas: 65059-92-9
dtxsid: DTXSID70886712
formula: C31H58NO2
inchikey: WZQBRQMVLLLQII-UHFFFAOYSA-M
norman_susdat_id: NS00055442
pubchem_cid: 103101
smiles: [Cl-].OC(C)C[N+](CC=1C=CC=CC1)(CCCCCCCCCCCCCCCCCC)CC(O)C
inchi:
InChI=1/C31H58NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32(26-29(2)33,27-30(3)34)28-31-23-20-19-21-24-31;/h19-21,23-24,29-30,33-34H,4-18,22,25-28H2,1-3H3;1H/q+1;/p-1


name: Benzylbis(2-hydroxypropyl)octylammonium chloride
cas: 65059-93-0
dtxsid: DTXSID30886713
formula: C21H38NO2
inchikey: STUWJCWJFWAPRD-UHFFFAOYSA-M
norman_susdat_id: NS00055443
pubchem_cid: 103104
smiles: [Cl-].OC(C)C[N+](CC=1C=CC=CC1)(CCCCCCCC)CC(O)C
inchi:
InChI=1/C21H38NO2.ClH/c1-4-5-6-7-8-12-15-22(16-19(2)23,17-20(3)24)18-21-13-10-9-11-14-21;/h9-11,13-14,19-20,23-24H,4-8,12,15-18H2,1-3H3;1H/q+1;/p-1


name: Benzylbis(2-hydroxypropyl)tetradecylammonium chloride
cas: 65059-94-1
dtxsid: DTXSID90886714
formula: C27H50NO2
inchikey: KXUWBDGMGUMNIG-UHFFFAOYSA-M
norman_susdat_id: NS00055551
pubchem_cid: 103106
smiles: [Cl-].OC(C)C[N+](CC=1C=CC=CC1)(CCCCCCCCCCCCCC)CC(O)C
inchi:
InChI=1/C27H50NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-28(22-25(2)29,23-26(3)30)24-27-19-16-15-17-20-27;/h15-17,19-20,25-26,29-30H,4-14,18,21-24H2,1-3H3;1H/q+1;/p-1


name: Benzyldecylbis(2-hydroxypropyl)ammonium chloride
cas: 65059-95-2
dtxsid: DTXSID50886715
formula: C23H42NO2
inchikey: BOKDXRHWFDZHBH-UHFFFAOYSA-M
norman_susdat_id: NS00055552
pubchem_cid: 103108
smiles: [Cl-].OC(C)C[N+](CC=1C=CC=CC1)(CCCCCCCCCC)CC(O)C
inchi:
InChI=1/C23H42NO2.ClH/c1-4-5-6-7-8-9-10-14-17-24(18-21(2)25,19-22(3)26)20-23-15-12-11-13-16-23;/h11-13,15-16,21-22,25-26H,4-10,14,17-20H2,1-3H3;1H/q+1;/p-1


name: Hexadecyltrimethylammonium methyl sulphate
cas: 65060-02-8
formula: C19H42N.CH3O4S
inchikey: OEWKLERKHURFTB-UHFFFAOYSA-M
norman_susdat_id: NS00087877
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-]
inchi:
InChI=1/C19H42N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5-6(2,3)4/h5-19H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 65060-04-0
dtxsid: DTXSID70983614
formula: C53H109N4O7
inchikey: JONIBJFAOKEPOT-UHFFFAOYSA-M
norman_susdat_id: NS00055444
pubchem_cid: 163069
smiles: O=C(OCCN(CCO)CCN(CCO)CC[N+](C)(CCO)CCN(C(=O)CCCCCCCCCCCCCCCCC)CCO)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])OC
name:
Ethanaminium, N-(2-hydroxyethyl)-N-[2-[(2-hydroxyethyl)[2-[(2-hydroxyethyl)[2-[(1-oxooctadecyl)oxy]ethyl]amino]ethyl]amino]ethyl]-2-[(2-hydroxyethyl)(1-oxooctadecyl)amino]-N-methyl-, methyl sulfate (salt)

inchi:
InChI=1/C53H109N4O7.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-52(62)56(42-49-60)39-45-57(3,46-50-61)44-38-54(40-47-58)36-37-55(41-48-59)43-51-64-53(63)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h58-61H,4-51H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 65060-06-2
dtxsid: DTXSID10886716
formula: C41H83N2O5
inchikey: VZESCPLYZMTHBN-UHFFFAOYSA-M
norman_susdat_id: NS00055054
pubchem_cid: 105177
smiles: O=C(OCC[N+](C)(CCO)CCN(C(=O)CCCCCCCCCCCCCCC)CCO)CCCCCCCCCCCCCCC.O=S(=O)([O-])OC
name:
(2-hydroxyethyl)[2-[(2-hydroxyethyl)(1-oxohexadecyl)amino]ethyl]methyl[2-[(1-oxohexadecyl)oxy]ethyl]ammonium methyl sulphate

inchi:
InChI=1/C41H83N2O5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40(46)42(33-37-44)32-34-43(3,35-38-45)36-39-48-41(47)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h44-45H,4-39H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 65060-08-4
dtxsid: DTXSID70886717
formula: C45H92N3O6
inchikey: CMJLIUNBUANLQU-UHFFFAOYSA-M
norman_susdat_id: NS00055055
pubchem_cid: 103115
smiles: O=C(OCCN(CCO)CC[N+](C)(CCO)CCN(C(=O)CCCCCCCCCCCCCCC)CCO)CCCCCCCCCCCCCCC.O=S(=O)([O-])OC
name:
(2-hydroxyethyl)[2-[(2-hydroxyethyl)(palmitoyl)amino]ethyl][2-[(2-hydroxyethyl)[2-(palmitoyloxy)ethyl]amino]ethyl]methylammonium methyl sulphate

inchi:
InChI=1/C45H92N3O6.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-44(52)47(35-41-50)33-38-48(3,39-42-51)37-32-46(34-40-49)36-43-54-45(53)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h49-51H,4-43H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: 1-methyl-1,4-bis[2-[(1-oxohexadecyl)oxy]ethyl]piperazinium methyl sulphate
cas: 65060-30-2
dtxsid: DTXSID30983615
formula: C41H81N2O4
inchikey: NOOBNDAKYYRZLH-UHFFFAOYSA-M
norman_susdat_id: NS00055056
pubchem_cid: 21117792
smiles: O=C(OCCN1CC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCC)CC1)CCCCCCCCCCCCCCC.O=S(=O)([O-])OC
inchi:
InChI=1/C41H81N2O4.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40(44)46-38-34-42-32-35-43(3,36-33-42)37-39-47-41(45)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-39H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: 1-methyl-1,4-bis[2-[(1-oxooctadecyl)oxy]ethyl]piperazinium methyl sulphate
cas: 65060-32-4
dtxsid: DTXSID90983616
formula: C45H89N2O4
inchikey: KYLCUILMMLCFFX-UHFFFAOYSA-M
norman_susdat_id: NS00055057
pubchem_cid: 21117793
smiles: O=C(OCCN1CC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CC1)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])OC
inchi:
InChI=1/C45H89N2O4.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-44(48)50-42-38-46-36-39-47(3,40-37-46)41-43-51-45(49)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-43H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 6507-77-3
dtxsid: DTXSID9064394
formula: C34H30N4O8S2
inchikey: VNENWQQVIWFWHW-UHFFFAOYSA-L
norman_susdat_id: NS00046614
pubchem_cid: 81003
name:
Disodium 7-hydroxy-8-[[4-[1-[4-[(4-hydroxyphenyl)azo]phenyl]cyclohexyl]phenyl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C34H30N4O8S2.2Na/c39-28-15-13-27(14-16-28)36-35-25-9-5-23(6-10-25)34(18-2-1-3-19-34)24-7-11-26(12-8-24)37-38-33-30(40)17-4-22-20-29(47(41,42)43)21-31(32(22)33)48(44,45)46;;/h4-17,20-21,39-40H,1-3,18-19H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(O)C(N=NC3=CC=C(C=C3)C4(C5=CC=C(N=NC6=CC=C(O)C=C6)C=C5)CCCCC4)=C2C(=C1)S(=O)(=O)[O-]


cas: 6507-78-4
formula: C38H32N4O11S3
inchikey: NWOFPTMLQCEISY-UHFFFAOYSA-K
norman_susdat_id: NS00047340
pubchem_cid: 135571028
name:
Trisodium 7-hydroxy-8-[[4-[1-[4-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]phenyl]cyclohexyl]phenyl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C38H32N4O11S3.3Na/c43-32-17-8-23-20-28(54(45,46)47)21-34(56(51,52)53)35(23)36(32)42-40-27-15-11-25(12-16-27)38(18-4-1-5-19-38)24-9-13-26(14-10-24)39-41-31-22-33(55(48,49)50)29-6-2-3-7-30(29)37(31)44;;;/h2-3,6-17,20-22,43-44H,1,4-5,18-19H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(O)C(N=NC3=CC=C(C=C3)C4(C5=CC=C(N=NC=6C=C(C=7C=CC=CC7C6O)S(=O)(=O)[O-])C=C5)CCCCC4)=C2C(=C1)S(=O)(=O)[O-]


cas: 6507-79-5
dtxsid: DTXSID00889559
formula: C40H36N4O10S2
inchikey: SWYAODARJIJAKL-UHFFFAOYSA-L
norman_susdat_id: NS00047341
pubchem_cid: 160852
name:
Disodium 3,3'-[cyclohexylidenebis[(2-methyl-4,1-phenylene)azo]]bis(4,6-dihydroxynaphthalene-2-sulphonate)

inchi:
InChI=1/C40H36N4O10S2.2Na/c1-22-16-26(8-12-32(22)41-43-36-34(55(49,50)51)18-24-6-10-28(45)20-30(24)38(36)47)40(14-4-3-5-15-40)27-9-13-33(23(2)17-27)42-44-37-35(56(52,53)54)19-25-7-11-29(46)21-31(25)39(37)48;;/h6-13,16-21,45-48H,3-5,14-15H2,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(O)C=C2C(O)=C1N=NC3=CC=C(C=C3C)C4(C5=CC=C(N=NC6=C(O)C7=CC(O)=CC=C7C=C6S(=O)(=O)[O-])C(=C5)C)CCCCC4


cas: 65072-26-6
dtxsid: DTXSID60889838
formula: C28H20N4O11S2
inchikey: HNRZVEBLTQZBGJ-UHFFFAOYSA-K
norman_susdat_id: NS00055553
pubchem_cid: NA
name:
Trisodium 4-[[1-hydroxy-6-[[[(5-hydroxy-7-sulphonato-2-naphthyl)amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate

inchi:
InChI=1/C28H20N4O11S2.3Na/c33-23-13-20(44(38,39)40)11-15-9-18(5-7-21(15)23)29-28(37)30-19-6-8-22-16(10-19)12-24(45(41,42)43)25(26(22)34)32-31-17-3-1-14(2-4-17)27(35)36;;;/h1-13,33-34H,(H,35,36)(H2,29,30,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC(=O)NC=4C=CC5=C(O)C=C(C=C5C4)S(=O)(=O)[O-])C=C1


cas: 65072-27-7
formula: C35H26N6O14S3
inchikey: ZWLSUPJXSLPRJM-UHFFFAOYSA-J
norman_susdat_id: NS00055445
pubchem_cid: 103129
name:
Tetrasodium 4-[[1-hydroxy-6-[[[[5-hydroxy-6-[(2-methyl-4-sulphonatophenyl)azo]-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]benzoate

inchi:
InChI=1/C35H26N6O14S3.4Na/c1-17-12-24(56(47,48)49)8-11-27(17)39-41-31-29(58(53,54)55)16-20-14-23(7-10-26(20)33(31)43)37-35(46)36-22-6-9-25-19(13-22)15-28(57(50,51)52)30(32(25)42)40-38-21-4-2-18(3-5-21)34(44)45;;;;/h2-16,42-43H,1H3,(H,44,45)(H2,36,37,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC(=O)NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=C(C=C6C)S(=O)(=O)[O-])C5O)S(=O)(=O)[O-])C=C1


name: Tetrasodium 4,4'-[carbonylbis[imino(1-hydroxy-3-sulphonatonaphthalene-6,2-diyl)azo]]dibenzoate
cas: 65072-31-3
dtxsid: DTXSID20889839
formula: C35H24N6O13S2
inchikey: BTYZBJUZZLAEMK-UHFFFAOYSA-J
norman_susdat_id: NS00055554
pubchem_cid: 170116
inchi:
InChI=1/C35H24N6O13S2.4Na/c42-31-25-11-9-23(13-19(25)15-27(55(49,50)51)29(31)40-38-21-5-1-17(2-6-21)33(44)45)36-35(48)37-24-10-12-26-20(14-24)16-28(56(52,53)54)30(32(26)43)41-39-22-7-3-18(4-8-22)34(46)47;;;;/h1-16,42-43H,(H,44,45)(H,46,47)(H2,36,37,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC(=O)NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=C(C=C6)C(=O)[O-])C5O)S(=O)(=O)[O-])C=C1


name: 7-Benzothiazolesulfonic acid, 2-[4-(5-amino-6-methyl-2-naphthalenyl)phenyl]-6-methyl-
cas: 65072-39-1
chemspiderid: 93159
dtxsid: DTXSID8070176
formula: C25H20N2O3S2
inchikey: YQFLNILRSXUCDC-UHFFFAOYSA-N
norman_susdat_id: NS00035784
pubchem_cid: 103134
smiles: Cc1ccc2nc(sc2c1S(=O)(=O)O)c1ccc(cc1)c1ccc2c(N)c(C)ccc2c1
inchi:
InChI=1S/C25H20N2O3S2/c1-14-3-5-19-13-18(10-11-20(19)22(14)26)16-6-8-17(9-7-16)25-27-21-12-4-15(2)24(23(21)31-25)32(28,29)30/h3-13H,26H2,1-2H3,(H,28,29,30)


name: Sodium 2-(4-aminophenyl)-5-methylbenzothiazole-7-sulphonate
cas: 65072-40-4
dtxsid: DTXSID3070177
formula: C14H12N2O3S2
inchikey: BRWRYBIQAAMPGN-UHFFFAOYSA-M
norman_susdat_id: NS00056408
pubchem_cid: 103136
smiles: [Na+].O=S(=O)([O-])C=1C=C(C=C2N=C(SC21)C=3C=CC(N)=CC3)C
inchi:
InChI=1/C14H12N2O3S2.Na/c1-8-6-11-13(12(7-8)21(17,18)19)20-14(16-11)9-2-4-10(15)5-3-9;/h2-7H,15H2,1H3,(H,17,18,19);/q;+1/p-1


name: 6-Benzothiazolesulfonic acid, 2-[[4-[[(2-chlorophenyl)methyl]ethylamino]-2-methylphenyl]azo]-
cas: 65072-41-5
chemspiderid: 93162
dtxsid: DTXSID8070178
formula: C23H21Cl1N4O3S2
inchikey: RAEKJFJPNAEJQQ-UHFFFAOYSA-N
norman_susdat_id: NS00035785
pubchem_cid: 103137
smiles: CCN(Cc1c(Cl)cccc1)c1ccc(N=Nc2nc3c(s2)cc(cc3)S(=O)(=O)O)c(C)c1
inchi:
InChI=1S/C23H21ClN4O3S2/c1-3-28(14-16-6-4-5-7-19(16)24)17-8-10-20(15(2)12-17)26-27-23-25-21-11-9-18(33(29,30)31)13-22(21)32-23/h4-13H,3,14H2,1-2H3,(H,29,30,31)/b27-26+


cas: 65072-45-9
dtxsid: DTXSID3070179
formula: C23H25N2O6S3
inchikey: KPMOTKVHMBUWQP-UHFFFAOYSA-N
norman_susdat_id: NS00055590
pubchem_cid: NA
smiles: [H+].O=S(=O)([O-])CCCN1C(SC=2C=CC=CC21)=CC=3C=CC=4C=CC=CC4[N+]3CCCS(=O)(=O)[O-]
name:
Hydrogen 1-(3-sulphonatopropyl)-2-[[3-(3-sulphonatopropyl)benzothiazol-2(3H)-ylidene]methyl]quinolinium

inchi:
InChI=1/C23H24N2O6S3.H2/c26-33(27,28)15-5-13-24-19(12-11-18-7-1-2-8-20(18)24)17-23-25(14-6-16-34(29,30)31)21-9-3-4-10-22(21)32-23;/h1-4,7-12,17H,5-6,13-16H2,(H-,26,27,28,29,30,31);1H/q;+1/p-1


cas: 65072-54-0
chemspiderid: 151884
dtxsid: DTXSID2070184
formula: C51H44N8O5
inchikey: AOYWYUOXPXVZRD-UHFFFAOYSA-N
norman_susdat_id: NS00035786
pubchem_cid: 174077
name:
Benzamide, N-[5-[[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]azo]-2-[[2-methyl-4-[(2-methylphenyl)azo]phenyl]azo]phenyl]-

inchi:
InChI=1S/C51H44N8O5/c1-36-14-12-13-21-45(36)56-55-42-24-28-46(37(2)34-42)57-58-47-29-25-43(35-48(47)52-49(60)38-15-6-3-7-16-38)54-53-41-22-26-44(27-23-41)59(30-32-63-50(61)39-17-8-4-9-18-39)31-33-64-51(62)40-19-10-5-11-20-40/h3-29,34-35H,30-33H2,1-2H3,(H,52,60)/b54-53+,56-55+,58-57?

smiles:
Cc1ccccc1N=Nc1ccc(N=Nc2ccc(cc2NC(=O)c2ccccc2)N=Nc2ccc(cc2)N(CCOC(=O)c2ccccc2)CCOC(=O)c2ccccc2)c(C)c1


name: 5-[(4-aminophenyl)azo]-3-methylsalicylic acid
cas: 65072-59-5
formula: C14H13N3O3
inchikey: YTIOMBPRIHISAH-UHFFFAOYSA-N
norman_susdat_id: NS00056507
pubchem_cid: 103146
smiles: O=C(O)C1=CC(N=NC2=CC=C(N)C=C2)=CC(=C1O)C
inchi:
InChI=1/C14H13N3O3/c1-8-6-11(7-12(13(8)18)14(19)20)17-16-10-4-2-9(15)3-5-10/h2-7,18H,15H2,1H3,(H,19,20)


name: Hexasodium 3,3'-azobis[7-(6-sulphonato-2H-naphtho[1,2-d]triazol-2-yl)naphthalene-1,5-disulphonate]
cas: 6508-68-5
formula: C40H24N8O18S6
inchikey: FTLCGVVRFDRTGD-UHFFFAOYSA-H
norman_susdat_id: NS00048004
pubchem_cid: 6455025
inchi:
InChI=1/C40H24N8O18S6.6Na/c49-67(50,51)33-5-1-3-25-23(33)7-9-31-39(25)45-47(43-31)21-15-29-27(37(17-21)71(61,62)63)11-19(13-35(29)69(55,56)57)41-42-20-12-28-30(36(14-20)70(58,59)60)16-22(18-38(28)72(64,65)66)48-44-32-10-8-24-26(40(32)46-48)4-2-6-34(24)68(52,53)54;;;;;;/h1-18H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C2C3=NN(N=C3C=CC21)C4=CC=5C(=CC(N=NC=6C=C7C(C=C(C=C7S(=O)(=O)[O-])N8N=C9C=CC=%10C(=CC=CC%10S(=O)(=O)[O-])C9=N8)=C(C6)S(=O)(=O)[O-])=CC5S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-]


name: Cefmenoxime
cas: 65085-01-0
chemspiderid: 7851670
dtxsid: DTXSID2022755
formula: C16H17N9O5S3
inchikey: HJJDBAOLQAWBMH-ODCIPOBUSA-N
norman_susdat_id: NS00003813
pubchem_cid: 9577231
smiles: CON=C(C(=O)NC1C2SCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O)c1csc(N)n1
inchi:
InChI=1S/C16H17N9O5S3/c1-24-16(20-22-23-24)33-4-6-3-31-13-9(12(27)25(13)10(6)14(28)29)19-11(26)8(21-30-2)7-5-32-15(17)18-7/h5,9,13H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b21-8+


name: Nystatin A2
cas: 65086-32-0
dtxsid: DTXSID40872324
inchikey: RALQCAVZSAUESR-XTEMEEEFSA-N
norman_susdat_id: NS00073854
inchi:
InChI=1S/C47H75NO16/c1-28-18-15-13-11-9-7-5-6-8-10-12-14-16-21-36(63-46-44(57)41(48)43(56)31(4)62-46)25-38-40(45(58)59)37(53)27-47(60,64-38)26-33(50)20-17-19-32(49)22-34(51)23-35(52)24-39(54)61-30(3)29(2)42(28)55/h5-6,8,10-16,18,21,28-38,40-44,46,49-53,55-57,60H,7,9,17,19-20,22-27,48H2,1-4H3,(H,58,59)/b6-5+,10-8+,13-11+,14-12+,18-15+,21-16+/t28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1

smiles:
C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)CCC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CCCC=CC=CC=CC=C2)[C@@H](O)[C@@H](N)[C@@H]1O


cas: 65086-38-6
formula: C18H39NO8S2
norman_susdat_id: NS00101656
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(tetradecylimino)di-2,1-ethanediyl]bis[.omega.-(sulfooxy)-, diammonium salt


cas: 65086-39-7
formula: C18H39NO5S
norman_susdat_id: NS00101377
name:
Poly(oxy-1,2-ethanediyl), .omega.-hydroxy-.omega.'-(sulfooxy)-.alpha.,.alpha.'-[(tetradecylimino)di-2,1-ethanediyl]bis-, monoammonium salt


cas: 65086-40-0
formula: C22H47NO5S
norman_susdat_id: NS00101280
name:
Poly(oxy-1,2-ethanediyl), .omega.-hydroxy-.omega.'-(sulfooxy)-.alpha.,.alpha.'-[(octadecylimino)di-2,1-ethanediyl]bis-, monoammonium salt


cas: 65086-41-1
formula: C22H47NO8S2
norman_susdat_id: NS00101594
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(octadecylimino)di-2,1-ethanediyl]bis[.omega.-(sulfooxy)-, diammonium salt


name: Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl](2-hydroxyethyl)amino]-
cas: 65086-47-7
chemspiderid: 93170
dtxsid: DTXSID7070187
formula: C18H18Cl1N5O3
inchikey: QDBJRXJHWACKOF-UHFFFAOYSA-N
norman_susdat_id: NS00035789
pubchem_cid: 103151
smiles: Cc1c(ccc(c1)N(CCO)CCC#N)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C18H18ClN5O3/c1-13-11-14(23(9-10-25)8-2-7-20)3-5-17(13)21-22-18-6-4-15(24(26)27)12-16(18)19/h3-6,11-12,25H,2,8-10H2,1H3/b22-21+


cas: 65086-49-9
dtxsid: DTXSID50897629
norman_susdat_id: NS00110845
name:
Ethanesulfonic acid, 2-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-, potassium salt (1:1), polymer with 1,1,2,2-tetrafluoroethene


cas: 65086-59-1
formula: C25H54NO2
norman_susdat_id: NS00101787
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(eicosylmethyliminio)di-2,1-ethanediyl]bis[.omega.-hydroxy-, methyl sulfate (salt)


cas: 65086-60-4
formula: C21H45NO5S
norman_susdat_id: NS00101298
name:
Poly(oxy-1,2-ethanediyl), .omega.-hydroxy-.omega.'-(sulfooxy)-.alpha.,.alpha.'-[(heptadecylimino)di-2,1-ethanediyl]bis-, monoammonium salt


cas: 65086-61-5
formula: C21H45NO8S2
norman_susdat_id: NS00101622
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(heptadecylimino)di-2,1-ethanediyl]bis[.omega.-(sulfooxy)-, diammonium salt


name: 1,1'-(octadecadienylimino)bispropan-2-ol
cas: 65086-70-6
formula: C24H47NO2
inchikey: KRJCMKQBBTXQDS-UHFFFAOYSA-N
norman_susdat_id: NS00055190
pubchem_cid: 71439346
smiles: OC(C)CN(C=CC=CCCCCCCCCCCCCCC)CC(O)C
inchi:
InChI=1/C24H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23(2)26)22-24(3)27/h17-20,23-24,26-27H,4-16,21-22H2,1-3H3


name: 1,1'-(octadecenylimino)bispropan-2-ol
cas: 65086-71-7
dtxsid: DTXSID60894462
formula: C24H49NO2
inchikey: HXAKPWJCZZAIMQ-UHFFFAOYSA-N
norman_susdat_id: NS00055591
pubchem_cid: 71439347
smiles: OC(C)CN(C=CCCCCCCCCCCCCCCCC)CC(O)C
inchi:
InChI=1/C24H49NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23(2)26)22-24(3)27/h19-20,23-24,26-27H,4-18,21-22H2,1-3H3


cas: 65086-82-0
formula: C21H46NO2
norman_susdat_id: NS00101814
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(hexadecylmethyliminio)di-2,1-ethanediyl]bis[.omega.-hydroxy-, methyl sulfate (salt)


name: Diphenyl [carbonylbis(imino-4,1-phenylenemethylene-4,1-phenylene)]biscarbamate
cas: 65086-89-7
dtxsid: DTXSID90983636
formula: C41H34N4O5
inchikey: BYBZVHGGXGVFIZ-UHFFFAOYSA-N
norman_susdat_id: NS00055191
pubchem_cid: 103154
smiles: O=C(OC=1C=CC=CC1)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)CC5=CC=C(C=C5)NC(=O)OC=6C=CC=CC6
inchi:
InChI=1/C41H34N4O5/c46-39(42-33-19-11-29(12-20-33)27-31-15-23-35(24-16-31)44-40(47)49-37-7-3-1-4-8-37)43-34-21-13-30(14-22-34)28-32-17-25-36(26-18-32)45-41(48)50-38-9-5-2-6-10-38/h1-26H,27-28H2,(H,44,47)(H,45,48)(H2,42,43,46)


name: .beta.-Alanine, N-[5-(acetylamino)-2-methoxyphenyl]-, methyl ester
cas: 65086-93-3
chemspiderid: 93172
dtxsid: DTXSID7070189
formula: C13H18N2O4
inchikey: QYWBJEGBJDVLMJ-UHFFFAOYSA-N
norman_susdat_id: NS00035790
pubchem_cid: 103155
smiles: COC(=O)CCNc1cc(NC(=O)C)ccc1OC
inchi:
InChI=1S/C13H18N2O4/c1-9(16)15-10-4-5-12(18-2)11(8-10)14-7-6-13(17)19-3/h4-5,8,14H,6-7H2,1-3H3,(H,15,16)


name: Tris[bis(2-hydroxyethyl]ammonium] citrate
cas: 65086-96-6
formula: C6H8O7.3C4H11NO2
inchikey: PTMZVOXBBFWVLX-UHFFFAOYSA-N
norman_susdat_id: NS00087740
smiles: OCC[NH2+]CCO.OCC[NH2+]CCO.OCC[NH2+]CCO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.3C4H11NO2/c7-3(8)1-6(13,5(11)12)2-4(9)10;3*6-3-1-5-2-4-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*5-7H,1-4H2


name: Benzenamine, 4,4'-methylenebis[2-[(4-aminophenyl)methyl]-
cas: 65086-99-9
chemspiderid: 93174
dtxsid: DTXSID1070193
formula: C27H28N4
inchikey: BCYHURLIXRJERG-UHFFFAOYSA-N
norman_susdat_id: NS00035791
pubchem_cid: 103158
smiles: Nc1ccc(Cc2cc(Cc3cc(Cc4ccc(N)cc4)c(N)cc3)ccc2N)cc1
inchi:
InChI=1S/C27H28N4/c28-24-7-1-18(2-8-24)14-22-16-20(5-11-26(22)30)13-21-6-12-27(31)23(17-21)15-19-3-9-25(29)10-4-19/h1-12,16-17H,13-15,28-31H2


name: 2,4-Bis[(4-dodecylphenyl)azo]resorcinol
cas: 65087-00-5
chemspiderid: 7851798
dtxsid: DTXSID0052334
formula: C42H62N4O2
inchikey: QHQNDQMXODMQBX-UHFFFAOYSA-N
norman_susdat_id: NS00019441
pubchem_cid: NA
smiles: CCCCCCCCCCCCc1ccc(N/N=C/2C=CC(=O)/C(=N/Nc3ccc(CCCCCCCCCCCC)cc3)/C2=O)cc1
inchi:
InChI=1S/C42H62N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-35-25-29-37(30-26-35)43-45-39-33-34-40(47)41(42(39)48)46-44-38-31-27-36(28-32-38)24-22-20-18-16-14-12-10-8-6-4-2/h25-34,43-44H,3-24H2,1-2H3/b45-39+,46-41-


name: Dinaphtho[1',2',3':3,4;3'',2'',1'':9,10]perylo[1,12-def][1,3]oxazepine
cas: 65087-06-1
chemspiderid: 93179
dtxsid: DTXSID6070198
formula: C35H17N1O1
inchikey: MJDYGVAGHGNGJZ-UHFFFAOYSA-N
norman_susdat_id: NS00035795
pubchem_cid: 103163
smiles: o1cnc2cc3c4c(ccc5c6ccc7cc8ccccc8c8c7c6c(c1c8)c2c45)cc1c3cccc1
inchi:
InChI=1S/C35H17NO/c1-3-7-22-18(5-1)13-20-9-11-24-25-12-10-21-14-19-6-2-4-8-23(19)27-16-29-35(33(25)31(21)27)34-28(36-17-37-29)15-26(22)30(20)32(24)34/h1-17H


name: o-[[[[2-[[(2-hydroxyphenyl)methylene]amino]cyclopentyl]methyl]imino]methyl]phenol
cas: 65087-12-9
dtxsid: DTXSID00886725
formula: C20H22N2O2
inchikey: SQWPYVWIMWPZGC-UHFFFAOYSA-N
norman_susdat_id: NS00055605
pubchem_cid: 103164
smiles: OC=1C=CC=CC1C=NCC2CCCC2N=CC=3C=CC=CC3O
inchi:
InChI=1/C20H22N2O2/c23-19-10-3-1-6-16(19)13-21-12-15-8-5-9-18(15)22-14-17-7-2-4-11-20(17)24/h1-4,6-7,10-11,13-15,18,23-24H,5,8-9,12H2


name: 2,2'-[(2-methylpentane-1,5-diyl)bis(nitrilomethylidyne)]bisphenol
cas: 65087-13-0
dtxsid: DTXSID60886726
formula: C20H24N2O2
inchikey: IPIHECIYBVDAFT-UHFFFAOYSA-N
norman_susdat_id: NS00056508
pubchem_cid: 103165
smiles: OC=1C=CC=CC1C=NCCCC(C)CN=CC=2C=CC=CC2O
inchi:
InChI=1/C20H24N2O2/c1-16(13-22-15-18-9-3-5-11-20(18)24)7-6-12-21-14-17-8-2-4-10-19(17)23/h2-5,8-11,14-16,23-24H,6-7,12-13H2,1H3


name: Carbamic acid, [4-[(4-isocyanatocyclohexyl)methyl]cyclohexyl]-, oxydi-2,1-ethanediyl ester
cas: 65087-21-0
chemspiderid: 93186
dtxsid: DTXSID3070204
formula: C34H54N4O7
inchikey: ZKFFNZRFZGRXPX-UHFFFAOYSA-N
norman_susdat_id: NS00035800
pubchem_cid: 103172
smiles: O=C=NC1CCC(CC2CCC(CC2)NC(=O)OCCOCCOC(=O)NC2CCC(CC3CCC(CC3)N=C=O)CC2)CC1
inchi:
InChI=1S/C34H54N4O7/c39-23-35-29-9-1-25(2-10-29)21-27-5-13-31(14-6-27)37-33(41)44-19-17-43-18-20-45-34(42)38-32-15-7-28(8-16-32)22-26-3-11-30(12-4-26)36-24-40/h25-32H,1-22H2,(H,37,41)(H,38,42)/t25-,26-,27-,28-,29-,30-,31+,32+


name: Sulfameter
cas: 651-06-9
chebiid: CHEBI:53727
chemspiderid: 5135
dtxsid: DTXSID5023613
formula: C11H12N4O3S1
inchikey: GPTONYMQFTZPKC-UHFFFAOYSA-N
norman_susdat_id: NS00010604
pubchem_cid: 5326
smiles: COc1cnc(nc1)NS(=O)(=O)c2ccc(cc2)N
inchi:
InChI=1S/C11H12N4O3S/c1-18-9-6-13-11(14-7-9)15-19(16,17)10-4-2-8(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)


cas: 65104-11-2
formula: C23H48NO2
norman_susdat_id: NS00101809
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(methyl-9-octadecenyliminio)di-2,1-ethanediyl]bis[.omega.-hydroxy-, methyl sulfate (salt)


cas: 65104-13-4
formula: C27H58NO2
norman_susdat_id: NS00101777
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(docosylmethyliminio)di-2,1-ethanediyl]bis[.omega.-hydroxy-, methyl sulfate (salt)


name: Ethanol, 2-[2-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-1-naphthalenyl]amino]ethoxy]-
cas: 65104-24-7
chemspiderid: 93191
dtxsid: DTXSID8070205
formula: C20H18Br1N5O6
inchikey: UWVWXCLYUOTGDJ-UHFFFAOYSA-N
norman_susdat_id: NS00035801
pubchem_cid: 103180
smiles: OCCOCCNc1c2ccccc2c(cc1)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C20H18BrN5O6/c21-16-11-13(25(28)29)12-19(26(30)31)20(16)24-23-18-6-5-17(22-7-9-32-10-8-27)14-3-1-2-4-15(14)18/h1-6,11-12,22,27H,7-10H2/b24-23+


name: DEA-LAURAMINOPRO- PIONATE
cas: 65104-36-1
chemspiderid: 14371
formula: C15H31N1O2
inchikey: AEDQNOLIADXSBB-UHFFFAOYSA-N
norman_susdat_id: NS00013545
pubchem_cid: 15099
smiles: CCCCCCCCCCCCNCCC(O)=O.OCCNCCO
inchi:
InChI=1S/C15H31NO2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15(17)18;6-3-1-5-2-4-7/h16H,2-14H2,1H3,(H,17,18);5-7H,1-4H2


name: Dodecyl dihydrogen phosphate, compound with morpholine (1:2)
cas: 65104-37-2
formula: C12H27O4P.2C4H9NO
inchikey: PFOQWLSYLMFIQG-UHFFFAOYSA-N
norman_susdat_id: NS00088018
smiles: CCCCCCCCCCCCOP(=O)(O)O.C1COCCN1.C2COCCN2
inchi:
InChI=1/C12H27O4P.2C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;2*1-3-6-4-2-5-1/h2-12H2,1H3,(H2,13,14,15);2*5H,1-4H2


name: Dodecyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:2)
cas: 65104-39-4
formula: C12H27O4P.2C4H11NO2
inchikey: SVJXHSBNOUJPED-UHFFFAOYSA-N
norman_susdat_id: NS00087742
smiles: CCCCCCCCCCCCOP(=O)(O)O.OCCNCCO.OCCNCCO
inchi:
InChI=1/C12H27O4P.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;2*6-3-1-5-2-4-7/h2-12H2,1H3,(H2,13,14,15);2*5-7H,1-4H2


name: Lithium 2-[2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-6-quinolyl]-6-methylbenzothiazole-7-sulphonate
cas: 65104-41-8
formula: C26H16N2O5S2.Li
inchikey: CMZFIPAVTRBJNV-UHFFFAOYSA-M
norman_susdat_id: NS00088039
smiles: [Li+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc4nc(ccc4c3)C5C(=O)c6ccccc6C5=O
inchi:
InChI=1/C26H16N2O5S2.Li/c1-13-6-9-20-24(25(13)35(31,32)33)34-26(28-20)15-8-10-18-14(12-15)7-11-19(27-18)21-22(29)16-4-2-3-5-17(16)23(21)30;/h2-12,21H,1H3,(H,31,32,33);/q;+1/p-1


cas: 65104-43-0
dtxsid: DTXSID20882860
norman_susdat_id: NS00109625
name:
Ethanesulfonamide, N-butyl-2-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethene


name: Diethyl(2-hydroxyethyl)ammonium decyl sulphate
cas: 65104-49-6
formula: C12H26O4S.C6H15NO
inchikey: ZEXWQNPHYCTKTK-UHFFFAOYSA-N
norman_susdat_id: NS00087768
smiles: CCCCCCCCCCOS(=O)(=O)[O-].CC[NH+](CC)CCO
inchi:
InChI=1/C10H22O4S.C6H15NO/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;1-3-7(4-2)5-6-8/h2-10H2,1H3,(H,11,12,13);8H,3-6H2,1-2H3


name: N-tetradecyl-ß-alanine, compound with 2,2'-iminodiethanol (1:1)
cas: 65104-54-3
formula: C17H35NO2.C4H11NO2
inchikey: DZLADQJYQHRVSM-UHFFFAOYSA-N
norman_susdat_id: NS00088410
smiles: CCCCCCCCCCCCCCNCCC(=O)O.OCCNCCO
inchi:
InChI=1/C17H35NO2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17(19)20;6-3-1-5-2-4-7/h18H,2-16H2,1H3,(H,19,20);5-7H,1-4H2


name: Diammonium tetradecyl phosphate
cas: 65104-55-4
formula: C14H31O4P.2H3N
inchikey: WPAXGYKRBMROIL-UHFFFAOYSA-N
norman_susdat_id: NS00088051
smiles: [NH4+].[NH4+].CCCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C14H31O4P.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;;/h2-14H2,1H3,(H2,15,16,17);2*1H3


name: Bis(2-hydroxyethyl)ammonium tetradecyl hydrogen phosphate
cas: 65104-56-5
formula: C14H31O4P.C4H11NO2
inchikey: ILRIOLRTHYIKHL-UHFFFAOYSA-N
norman_susdat_id: NS00087769
smiles: OCC[NH2+]CCO.OP([O-])(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1/C14H31O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;6-3-1-5-2-4-7/h2-14H2,1H3,(H2,15,16,17);5-7H,1-4H2


name: Bis[bis(2-hydroxyethyl)ammonium] tetradecyl phosphate
cas: 65104-57-6
formula: C14H31O4P.2C4H11NO2
inchikey: DEVDJXHTPPIGBN-UHFFFAOYSA-N
norman_susdat_id: NS00087770
smiles: CCCCCCCCCCCCCCOP(=O)([O-])[O-].OCC[NH2+]CCO.OCC[NH2+]CCO
inchi:
InChI=1/C14H31O4P.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;2*6-3-1-5-2-4-7/h2-14H2,1H3,(H2,15,16,17);2*5-7H,1-4H2


name: Ammonium tetradecyl hydrogen phosphate
cas: 65104-58-7
formula: C14H31O4P.H3N
inchikey: OYGLWHQYRAHRNH-UHFFFAOYSA-N
norman_susdat_id: NS00088052
smiles: [NH4+].OP([O-])(=O)OCCCCCCCCCCCCCC
inchi:
InChI=1/C14H31O4P.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H2,15,16,17);1H3


name: Morpholinium tetradecyl hydrogen phosphate
cas: 65104-59-8
formula: C14H31O4P.C4H9NO
inchikey: LAKQHNKENBYZJX-UHFFFAOYSA-N
norman_susdat_id: NS00087771
smiles: [O-]P(O)(=O)OCCCCCCCCCCCCCC.C1C[NH2+]CCO1
inchi:
InChI=1/C14H31O4P.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;1-3-6-4-2-5-1/h2-14H2,1H3,(H2,15,16,17);5H,1-4H2


name: Dimorpholinium tetradecyl phosphate
cas: 65104-60-1
formula: C14H31O4P.2C4H9NO
inchikey: DNIQWPSYSBMKAR-UHFFFAOYSA-N
norman_susdat_id: NS00087772
smiles: CCCCCCCCCCCCCCOP(=O)([O-])[O-].C1COCC[NH2+]1.C2COCC[NH2+]2
inchi:
InChI=1/C14H31O4P.2C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;2*1-3-6-4-2-5-1/h2-14H2,1H3,(H2,15,16,17);2*5H,1-4H2


name: Bis(2-hydroxyethyl)ammonium tetradecyl sulphate
cas: 65104-61-2
formula: C14H30O4S.C4H11NO2
inchikey: QZUFUZCFYQJWBG-UHFFFAOYSA-N
norman_susdat_id: NS00088411
smiles: CCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH2+]CCO
inchi:
InChI=1/C14H30O4S.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;6-3-1-5-2-4-7/h2-14H2,1H3,(H,15,16,17);5-7H,1-4H2


name: Cyclohexyldiethylammonium tetradecyl sulphate
cas: 65104-62-3
formula: C14H30O4S.C10H21N
inchikey: YSBMQBYYVGFPBI-UHFFFAOYSA-N
norman_susdat_id: NS00087773
smiles: CCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH+](CC)C1CCCCC1
inchi:
InChI=1/C14H30O4S.C10H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;1-3-11(4-2)10-8-6-5-7-9-10/h2-14H2,1H3,(H,15,16,17);10H,3-9H2,1-2H3


name: 18:2 Fluorotelomer iodide
cas: 65104-63-4
chemspiderid: 93210
dtxsid: DTXSID2070217
formula: C20H4F37I1
inchikey: ZVYZCXJEWPRVAQ-UHFFFAOYSA-N
norman_susdat_id: NS00011027
pubchem_cid: 103200
inchi:
InChI=1S/C20H4F37I/c21-3(22,1-2-58)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)19(53,54)20(55,56)57/h1-2H2

smiles:
C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(F)F)CI


name: (Perfluorooctadecyl)ethyl 2-propenoate
cas: 65104-64-5
chemspiderid: 151886
dtxsid: DTXSID7070218
formula: C23H7F37O2
inchikey: FXIGCVJVDAFVIC-UHFFFAOYSA-N
norman_susdat_id: NS00011009
pubchem_cid: 174079
inchi:
InChI=1S/C23H7F37O2/c1-2-5(61)62-4-3-6(24,25)7(26,27)8(28,29)9(30,31)10(32,33)11(34,35)12(36,37)13(38,39)14(40,41)15(42,43)16(44,45)17(46,47)18(48,49)19(50,51)20(52,53)21(54,55)22(56,57)23(58,59)60/h2H,1,3-4H2

smiles:
C(OC(C=C)=O)CC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F


name: 18:2 Fluorotelomer alcohol
cas: 65104-65-6
chemspiderid: 93211
dtxsid: DTXSID2070219
formula: C20H5F37O1
inchikey: FDCQNVKWWMNRQN-UHFFFAOYSA-N
norman_susdat_id: NS00010932
pubchem_cid: 103201
inchi:
InChI=1S/C20H5F37O/c21-3(22,1-2-58)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)19(53,54)20(55,56)57/h58H,1-2H2

smiles:
C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(F)F)CO


name: 1,H,1H,2H,2H-perfluoroeicosyl methacrylate
cas: 65104-66-7
chemspiderid: 143145
dtxsid: DTXSID1070220
formula: C24H9F37O2
inchikey: OWAQRMVKMUUGIA-UHFFFAOYSA-N
norman_susdat_id: NS00011010
pubchem_cid: 163074
inchi:
InChI=1S/C24H9F37O2/c1-5(2)6(62)63-4-3-7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)17(45,46)18(47,48)19(49,50)20(51,52)21(53,54)22(55,56)23(57,58)24(59,60)61/h1,3-4H2,2H3

smiles:
C(OC(C(=C)C)=O)CC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F


name: 1,1,2,2-Tetrahydroperfluoro-1-octadecanol
cas: 65104-67-8
chemspiderid: 93212
dtxsid: DTXSID6070221
formula: C18H5F33O1
inchikey: UYSGWTCETIRUHO-UHFFFAOYSA-N
norman_susdat_id: NS00010930
pubchem_cid: 103202
inchi:
InChI=1S/C18H5F33O/c19-3(20,1-2-52)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)17(47,48)18(49,50)51/h52H,1-2H2

smiles:
C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO


cas: 65104-69-0
formula: C22H45NO8S2
norman_susdat_id: NS00101634
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(octadecenylimino)di-2,1-ethanediyl]bis[.omega.-(sulfooxy)-, diammonium salt


cas: 65104-76-9
formula: C18H37NO8S2
norman_susdat_id: NS00101672
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(tetradecenylimino)di-2,1-ethanediyl]bis[.omega.-(sulfooxy)-, diammonium salt


cas: 65104-78-1
formula: C20H41NO5S
norman_susdat_id: NS00101376
name:
Poly(oxy-1,2-ethanediyl), .omega.-hydroxy-.omega.'-(sulfooxy)-.alpha.,.alpha.'-[(hexadecenylimino)di-2,1-ethanediyl]bis-, monoammonium salt


cas: 65104-80-5
formula: C20H41NO8S2
norman_susdat_id: NS00101655
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(hexadecenylimino)di-2,1-ethanediyl]bis[.omega.-(sulfooxy)-, diammonium salt


cas: 65104-82-7
formula: C22H43NO5S
norman_susdat_id: NS00101372
name:
Poly(oxy-1,2-ethanediyl), .omega.-hydroxy-.omega.'-(sulfooxy)-.alpha.,.alpha.'-[(octadecadienylimino)di-2,1-ethanediyl]bis-, monoammonium salt


cas: 65104-83-8
formula: C22H43NO8S2
norman_susdat_id: NS00101654
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(octadecadienylimino)di-2,1-ethanediyl]bis[.omega.-(sulfooxy)-, diammonium salt


cas: 65104-84-9
formula: C22H45NO5S
norman_susdat_id: NS00101319
name:
Poly(oxy-1,2-ethanediyl), .omega.-hydroxy-.omega.'-(sulfooxy)-.alpha.,.alpha.'-[(octadecenylimino)di-2,1-ethanediyl]bis-, monoammonium salt


name: Dihexadecadienyl hydrogen phosphate
cas: 65104-94-1
formula: C32H59O4P
inchikey: LTAALYVRXZBFCG-UHFFFAOYSA-N
norman_susdat_id: NS00055777
pubchem_cid: 71439351
smiles: O=P(O)(OC=CC=CCCCCCCCCCCCC)OC=CC=CCCCCCCCCCCCC
inchi:
InChI=1/C32H59O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24H2,1-2H3,(H,33,34)


name: Dihexadecenyl hydrogen phosphate
cas: 65104-95-2
formula: C32H63O4P
inchikey: LKCZDBORQLFPRP-UHFFFAOYSA-N
norman_susdat_id: NS00055255
pubchem_cid: 71439352
smiles: O=P(O)(OC=CCCCCCCCCCCCCCC)OC=CCCCCCCCCCCCCCC
inchi:
InChI=1/C32H63O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32H,3-28H2,1-2H3,(H,33,34)


name: Di(octadecadienyl) hydrogen phosphate
cas: 65104-96-3
formula: C36H67O4P
inchikey: IUWXMOOQMNUZCD-UHFFFAOYSA-N
norman_susdat_id: NS00056551
pubchem_cid: NA
smiles: O=P(O)(OC=CC=CCCCCCCCCCCCCCC)OC=CC=CCCCCCCCCCCCCCC
inchi:
InChI=1/C36H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-36H,3-28H2,1-2H3,(H,37,38)


name: 1-methylpropane-1,3-diyl bis[(3-isocyanatobenzyl)carbamate]
cas: 65105-00-2
dtxsid: DTXSID70983654
formula: C22H22N4O6
inchikey: IOYGDHLFVLOGBL-UHFFFAOYSA-N
norman_susdat_id: NS00056552
pubchem_cid: 21117802
smiles: O=C=NC1=CC=CC(=C1)CNC(=O)OCCC(OC(=O)NCC=2C=CC=C(N=C=O)C2)C
inchi:
InChI=1/C22H22N4O6/c1-16(32-22(30)24-13-18-5-3-7-20(11-18)26-15-28)8-9-31-21(29)23-12-17-4-2-6-19(10-17)25-14-27/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,23,29)(H,24,30)


cas: 65113-55-5
inchikey: PFSIUSJTHMWHPU-UHFFFAOYSA-M
norman_susdat_id: NS00078393
name:
[4-[p,p'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium m-[[p-anilinophenyl]azo]benzenesulphonate

smiles:
[O-]S(=O)(=O)c1cccc(c1)N=Nc1ccc(Nc2ccccc2)cc1.CN(C)c1ccc(cc1)C(c1ccc(cc1)N(C)C)=C1C=CC(C=C1)=[N+](C)C


name: Lead dibutanolate
cas: 65119-94-0
formula: C4H10O.1/2Pb
inchikey: AGZCHLPJCXXPDM-UHFFFAOYSA-N
norman_susdat_id: NS00087785
smiles: [Pb+2].CCCC[O-].[O-]CCCC
inchi:
InChI=1/2C4H9O.Pb.2H/c2*1-2-3-4-5;;;/h2*2-4H2,1H3;;;/q2*-1;+4;;/r2C4H9O.H2Pb/c2*1-2-3-4-5;/h2*2-4H2,1H3;1H2/q2*-1;+4


name: 1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-ethyl-
cas: 65121-70-2
chemspiderid: 93218
dtxsid: DTXSID1070224
formula: C18H13N3O4
inchikey: MJRAWDJHNNPSHG-UHFFFAOYSA-N
norman_susdat_id: NS00035809
pubchem_cid: 103214
smiles: CCn1c(=O)c2c(N)c3c(c(N)c2c1=O)c(=O)c1c(cccc1)c3=O
inchi:
InChI=1S/C18H13N3O4/c1-2-21-17(24)11-12(18(21)25)14(20)10-9(13(11)19)15(22)7-5-3-4-6-8(7)16(10)23/h3-6H,2,19-20H2,1H3


name: 1,3,3-trimethyl-2-[(methylphenylhydrazono)methyl]-3H-indolium hydrogen sulphate
cas: 65121-73-5
formula: C19H22N3.HO4S
inchikey: TVVVIPKPEFHAOO-UHFFFAOYSA-M
norman_susdat_id: NS00087999
smiles: [H+].[O-]S([O-])(=O)=O.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2
inchi:
InChI=1/C19H22N3.H2O4S.H2/c1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;1-5(2,3)4;/h5-14H,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


name: Decyl dihydrogen phosphate, compound with morpholine (1:2)
cas: 65121-80-4
formula: C10H23O4P.2C4H9NO
inchikey: HSLJTFCSNFZPEQ-UHFFFAOYSA-N
norman_susdat_id: NS00088412
smiles: OP(O)(=O)OCCCCCCCCCC.C1COCCN1.C1CNCCO1
inchi:
InChI=1/C10H23O4P.2C4H9NO/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;2*1-3-6-4-2-5-1/h2-10H2,1H3,(H2,11,12,13);2*5H,1-4H2


name: Decyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)
cas: 65121-81-5
formula: C10H23O4P.C4H11NO2
inchikey: DTKWHADVSLSNQD-UHFFFAOYSA-N
norman_susdat_id: NS00088413
smiles: CCCCCCCCCCOP(=O)(O)O.OCCNCCO
inchi:
InChI=1/C10H23O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;6-3-1-5-2-4-7/h2-10H2,1H3,(H2,11,12,13);5-7H,1-4H2


cas: 65121-84-8
dtxsid: DTXSID80983685
formula: C32H29N5O
inchikey: SWHIIVFUMNSBFH-RZLHGTIFSA-N
norman_susdat_id: NS00055679
pubchem_cid: NA
name:
1,3-diallyl-2-[2-(1-methoxy-2-phenyl-1H-indol-3-yl)vinyl]-1H-imidazo[4,5-b]quinoxalinium toluene-p-sulphonate

inchi:
InChI=1/C32H29N5O.C7H8O3S/c1-4-21-35-29(36(22-5-2)32-31(35)33-26-16-10-11-17-27(26)34-32)20-19-25-24-15-9-12-18-28(24)37(38-3)30(25)23-13-7-6-8-14-23;1-6-2-4-7(5-3-6)11(8,9)10/h4-20,29H,1-2,21-22H2,3H3;2-5H,1H3,(H,8,9,10)

smiles:
O=S(=O)([O-])C1=CC=C(C=C1)C.N=1C=2C=CC=CC2N=C3C1N(CC=C)C(C=CC=4C=5C=CC=CC5N(OC)C4C=6C=CC=CC6)[NH+]3CC=C


name: Sodium tetradecenyl sulphate
cas: 65121-88-2
dtxsid: DTXSID6070227
formula: C14H28O4S
inchikey: ZKVAPRXKDPAASB-UHFFFAOYSA-M
norman_susdat_id: NS00055823
pubchem_cid: 57352184
smiles: [Na+].O=S(=O)([O-])OC=CCCCCCCCCCCCC
inchi:
InChI=1/C14H28O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h13-14H,2-12H2,1H3,(H,15,16,17);/q;+1/p-1


cas: 65121-93-9
formula: C31H42N3.1/2Cl4Zn
inchikey: XUWDIINZFOKJSR-UHFFFAOYSA-J
norman_susdat_id: NS00088681
name:
[4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium tetrachlorozincate

inchi:
InChI=1/2C31H42N3.4ClH.Zn/c2*1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;;;;;/h2*13-24H,7-12H2,1-6H3;4*1H;/q2*+1;;;;;+2/p-4/r2C31H42N3.Cl4Zn/c2*1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;1-5(2,3)4/h2*13-24H,7-12H2,1-6H3;/q2*+1;-2

smiles:
CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC.CCN(CC)c4ccc(cc4)C(=C5C=CC(=[N+](CC)CC)C=C5)c6ccc(cc6)N(CC)CC.Cl[Zn-2](Cl)(Cl)Cl


name: 4-Oxazolidinone, 3-ethyl-5-[2-(3-ethyl-2-thiazolidinylidene)-1-methylethylidene]-2-thioxo-
cas: 65122-01-2
chemspiderid: 4941572
dtxsid: DTXSID5070232
formula: C13H18N2O2S2
inchikey: JLFKHEYAEIXOJF-UHFFFAOYSA-N
norman_susdat_id: NS00035811
pubchem_cid: 103230
smiles: CCN1CCS/C/1=C/C(=C/1OC(=S)N(CC)C1=O)/C
inchi:
InChI=1S/C13H18N2O2S2/c1-4-14-6-7-19-10(14)8-9(3)11-12(16)15(5-2)13(18)17-11/h8H,4-7H2,1-3H3/b10-8+,11-9-


name: (2-ethylhexyl)ammonium bis(6-methylheptyl) phosphate
cas: 65122-03-4
formula: C16H35O4P.C8H19N
inchikey: MJRDRRWIAQOYMP-UHFFFAOYSA-N
norman_susdat_id: NS00088266
smiles: CCCCC(CC)C[NH3+].CC(C)CCCCCOP(=O)([O-])OCCCCCC(C)C
inchi:
InChI=1/C16H35O4P.C8H19N/c1-15(2)11-7-5-9-13-19-21(17,18)20-14-10-6-8-12-16(3)4;1-3-5-6-8(4-2)7-9/h15-16H,5-14H2,1-4H3,(H,17,18);8H,3-7,9H2,1-2H3


name: 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate
cas: 65122-06-7
formula: C23H26N3.C2H3O2
inchikey: BKBFMSIYWJCZCJ-UHFFFAOYSA-M
norman_susdat_id: NS00088027
smiles: CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-]
inchi:
InChI=1/C23H26N3.C2H4O2/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-2(3)4/h5-6,8-15H,7,17H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


name: 2-[[(4-ethoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium chloride
cas: 65122-07-8
dtxsid: DTXSID50886735
formula: C21H26N3O
inchikey: DRRLFORPUOLSPC-UHFFFAOYSA-N
norman_susdat_id: NS00057070
pubchem_cid: NA
smiles: [Cl-].N(=CC1=[N+](C=2C=CC=CC2C1(C)C)C)NCC3=CC=C(OCC)C=C3
inchi:
InChI=1/C21H25N3O.ClH/c1-5-25-17-12-10-16(11-13-17)14-22-23-15-20-21(2,3)18-8-6-7-9-19(18)24(20)4;/h6-13,15H,5,14H2,1-4H3;1H


cas: 65122-08-9
chemspiderid: 85376
dtxsid: DTXSID0070233
formula: C25H29N2
inchikey: URHPWVXDUPYQLQ-UHFFFAOYSA-M
norman_susdat_id: NS00020108
pubchem_cid: 11825876
smiles: CC(=O)[O-].CN1c2ccccc2C(C)(C)C1=CC=CC1=[N+](C)c2ccccc2C1(C)C
name:
3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, acetate

inchi:
InChI=1S/C25H29N2/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6/h7-17H,1-6H3/q+1


name: Benzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione, 2,11-dichloro-
cas: 65122-11-4
chemspiderid: 93230
dtxsid: DTXSID5070234
formula: C34H14Cl2O2
inchikey: DCRJAUKEOAHQJI-UHFFFAOYSA-N
norman_susdat_id: NS00035812
pubchem_cid: 103233
smiles: Clc1cc2c(cc1)c1ccc3c4ccc5C(=O)c6c(ccc(Cl)c6)c6c5c4c(cc6)c4c3c1c(cc4)C2=O
inchi:
InChI=1S/C34H14Cl2O2/c35-15-1-3-17-19-5-7-21-24-10-12-26-32-20(18-4-2-16(36)14-28(18)34(26)38)6-8-22(30(24)32)23-9-11-25(31(19)29(21)23)33(37)27(17)13-15/h1-14H


name: Cyclohexyldimethylammonium oleate
cas: 65122-23-8
formula: C18H34O2.C8H17N
inchikey: XGBJXPXIFLEYFH-KVVVOXFISA-N
norman_susdat_id: NS00088682
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)[O-].C[NH+](C)C1CCCCC1
inchi:
InChI=1/C18H34O2.C8H17N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-9(2)8-6-4-3-5-7-8/h9-10H,2-8,11-17H2,1H3,(H,19,20);8H,3-7H2,1-2H3


name: Bis(2-hydroxyethyl)ammonium hexadecyl hydrogen phosphate
cas: 65122-24-9
formula: C16H35O4P.C4H11NO2
inchikey: GKKMCECQQIKAHA-UHFFFAOYSA-N
norman_susdat_id: NS00088256
smiles: CCCCCCCCCCCCCCCCOP(=O)(O)[O-].OCC[NH2+]CCO
inchi:
InChI=1/C16H35O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;6-3-1-5-2-4-7/h2-16H2,1H3,(H2,17,18,19);5-7H,1-4H2


name: Diammonium hexadecyl phosphate
cas: 65122-25-0
formula: C16H35O4P.2H3N
inchikey: SQYHYNXCNFIANK-UHFFFAOYSA-N
norman_susdat_id: NS00088257
smiles: [NH4+].[NH4+].CCCCCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C16H35O4P.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;;/h2-16H2,1H3,(H2,17,18,19);2*1H3


name: Hexadecadienyl dihydrogen phosphate
cas: 65122-28-3
formula: C16H31O4P
inchikey: DIIBOSLQYNJPMB-UHFFFAOYSA-N
norman_susdat_id: NS00056327
pubchem_cid: NA
smiles: O=P(O)(O)OC=CC=CCCCCCCCCCCCC
inchi:
InChI=1/C16H31O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h13-16H,2-12H2,1H3,(H2,17,18,19)


cas: 65122-36-3
formula: C18H37NO5S
norman_susdat_id: NS00101440
name:
Poly(oxy-1,2-ethanediyl), .omega.-hydroxy-.omega.'-(sulfooxy)-.alpha.,.alpha.'-[(tetradecenylimino)di-2,1-ethanediyl]bis-, monoammonium salt


name: Benzenesulfonic acid, 3,3'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[2,4,6-triethyl-
cas: 65122-39-6
chemspiderid: 93234
dtxsid: DTXSID5070238
formula: C38H42N2O8S2
inchikey: JPIJFOIMQDDHFY-UHFFFAOYSA-N
norman_susdat_id: NS00035814
pubchem_cid: 103240
smiles: CCc1cc(CC)c(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(Nc3c(CC)cc(CC)c(c3CC)S(=O)(=O)O)cc2)c(CC)c1S(=O)(=O)O
inchi:
InChI=1S/C38H42N2O8S2/c1-7-21-19-23(9-3)37(49(43,44)45)25(11-5)33(21)39-29-17-18-30(32-31(29)35(41)27-15-13-14-16-28(27)36(32)42)40-34-22(8-2)20-24(10-4)38(26(34)12-6)50(46,47)48/h13-20,39-40H,7-12H2,1-6H3,(H,43,44,45)(H,46,47,48)


name: Benzenemethanol, 4-amino-.alpha.-(4-amino-2-methylphenyl)-.alpha.-(2-chlorophenyl)-2-methyl-
cas: 65122-41-0
chemspiderid: 93235
dtxsid: DTXSID0070239
formula: C21H21Cl1N2O1
inchikey: PBRNBXVTBUODFJ-UHFFFAOYSA-N
norman_susdat_id: NS00035815
pubchem_cid: 103241
smiles: Cc1c(ccc(N)c1)C(O)(c1c(C)cc(N)cc1)c1c(Cl)cccc1
inchi:
InChI=1S/C21H21ClN2O/c1-13-11-15(23)7-9-17(13)21(25,19-5-3-4-6-20(19)22)18-10-8-16(24)12-14(18)2/h3-12,25H,23-24H2,1-2H3


name: 4-[(3-aminophenyl)azo]benzene-1,3-diamine monoacetate
cas: 65122-44-3
formula: C12H13N5.C2H4O2
inchikey: AHQBRNKSJWJUKC-UHFFFAOYSA-N
norman_susdat_id: NS00088295
smiles: CC(O)=O.Nc2cccc(N=Nc1ccc(N)cc1N)c2
inchi:
InChI=1/C12H13N5.C2H4O2/c13-8-2-1-3-10(6-8)16-17-12-5-4-9(14)7-11(12)15;1-2(3)4/h1-7H,13-15H2;1H3,(H,3,4)


name: Formic acid, compound with 4-[(m-aminophenyl)azo]benzene-1,3-diamine (1:1)
cas: 65122-45-4
formula: C12H13N5.CH2O2
inchikey: UNCAXTVLEOJEQX-UHFFFAOYSA-N
norman_susdat_id: NS00088296
smiles: OC=O.Nc2cccc(N=Nc1ccc(N)cc1N)c2
inchi:
InChI=1/C12H13N5.CH2O2/c13-8-2-1-3-10(6-8)16-17-12-5-4-9(14)7-11(12)15;2-1-3/h1-7H,13-15H2;1H,(H,2,3)


name: 4-[(m-aminophenyl)azo]benzene-1,3-diamine hydroxyacetate
cas: 65122-46-5
dtxsid: DTXSID9070242
formula: C12H13N5
inchikey: ZYRMZFNQPOIEIS-UHFFFAOYSA-N
norman_susdat_id: NS00055793
pubchem_cid: 75533
smiles: O=C(O)CO.N(=NC1=CC=C(N)C=C1N)C2=CC=CC(N)=C2
inchi:
InChI=1/C12H13N5.C2H4O3/c13-8-2-1-3-10(6-8)16-17-12-5-4-9(14)7-11(12)15;3-1-2(4)5/h1-7H,13-15H2;3H,1H2,(H,4,5)


name: Lead 12-hydroxyoctadecanoate
cas: 65127-78-8
formula: C18H36O3.xPb
inchikey: MWQXNHBKRPPTJW-UHFFFAOYSA-N
norman_susdat_id: NS00088297
smiles: [Pb].OC(=O)CCCCCCCCCCC(O)CCCCCC
inchi:
InChI=1/C18H36O3.Pb.2H/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;;;/h17,19H,2-16H2,1H3,(H,20,21);;;/q;+4;;/rC18H36O3.H2Pb/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);1H2/q;+4


name: 1H-Benz[de]isoquinoline-1,3(2H)-dione, 6,7-dimethoxy-2-(phenylmethyl)-
cas: 65132-26-5
chemspiderid: 93239
dtxsid: DTXSID4070243
formula: C21H17N1O4
inchikey: BPJDZBGBYIKLFK-UHFFFAOYSA-N
norman_susdat_id: NS00035816
pubchem_cid: 103246
smiles: COc1ccc2c(=O)n(Cc3ccccc3)c(=O)c3c2c1c(OC)cc3
inchi:
InChI=1S/C21H17NO4/c1-25-16-10-8-14-18-15(9-11-17(26-2)19(16)18)21(24)22(20(14)23)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3


name: (R)-N-(2,4-dihydroxy-3,3-dimethylbutyryl)-ß-alanine, magnesium salt
cas: 65135-27-5
formula: C9H17NO5.xMg
inchikey: KHSDAPFJBGHTQN-FJXQXJEOSA-M
norman_susdat_id: NS00088063
smiles: [Mg+2].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-]
inchi:
InChI=1/C9H17NO5.Mg/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;+2/p-1


cas: 65138-69-4
formula: C25H30N3.1/2Cl4Zn
inchikey: HNARMZQQXJYCRE-UHFFFAOYSA-J
norman_susdat_id: NS00088258
name:
Bis[[4-[bis[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium] tetrachlorozincate(2-)

inchi:
InChI=1/2C25H30N3.4ClH.Zn/c2*1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;;;;;/h2*7-18H,1-6H3;4*1H;/q2*+1;;;;;+2/p-4/r2C25H30N3.Cl4Zn/c2*1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;1-5(2,3)4/h2*7-18H,1-6H3;/q2*+1;-2

smiles:
CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C.CN(C)c4ccc(cc4)C(=C5C=CC(=[N+](C)C)C=C5)c6ccc(cc6)N(C)C.Cl[Zn-2](Cl)(Cl)Cl


name: Bis[bis(2-hydroxyethyl)ammonium] hexadecyl phosphate
cas: 65138-84-3
formula: C16H35O4P.2C4H11NO2
inchikey: IFNGPDGVDHXNRL-UHFFFAOYSA-N
norman_susdat_id: NS00088259
smiles: CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCC[NH2+]CCO.OCC[NH2+]CCO
inchi:
InChI=1/C16H35O4P.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;2*6-3-1-5-2-4-7/h2-16H2,1H3,(H2,17,18,19);2*5-7H,1-4H2


name: Calcium (3,5-di-tert-butyl-4-hydroxybenzyl monoethyl phosphonate)
cas: 65140-91-2
chemspiderid: 93248
dtxsid: DTXSID9044249
formula: C17H29O4P1
inchikey: SJEZDMHBMZPMME-UHFFFAOYSA-L
norman_susdat_id: NS00019619
pubchem_cid: 102057990
inchi:
InChI=1S/C17H29O4P/c1-8-21-22(19,20)11-12-9-13(16(2,3)4)15(18)14(10-12)17(5,6)7/h9-10,18H,8,11H2,1-7H3,(H,19,20)

smiles:
[Ca++].CCOP(=O)([O-])Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C.CCOP(=O)([O-])Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C


name: Disodium hexadecyl(sulfophenoxy)benzenesulfonate
cas: 65143-89-7
chemspiderid: 17215677
dtxsid: DTXSID9029772
formula: C28H42O7S2
inchikey: DWBRKIMUGXLNBO-UHFFFAOYSA-L
norman_susdat_id: NS00019740
pubchem_cid: 22833449
smiles: [Na+].[Na+].CCCCCCCCCCCCCCCCC1=C(OC2=C(C=CC=C2)S([O-])(=O)=O)C=CC=C1S([O-])(=O)=O
inchi:
InChI=1S/C28H42O7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-25(21-18-23-27(24)36(29,30)31)35-26-20-16-17-22-28(26)37(32,33)34/h16-18,20-23H,2-15,19H2,1H3,(H,29,30,31)(H,32,33,34)


cas: 65147-24-2
dtxsid: DTXSID30215463
formula: C26H22BrN3O9S2
inchikey: TVWBPUZDERZRMO-UHFFFAOYSA-L
norman_susdat_id: NS00056329
pubchem_cid: 6455044
name:
Disodium 1-amino-4-[[3-[(2-bromo-1-oxoallyl)amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C26H22BrN3O9S2.2Na/c1-10-21(11(2)25(41(37,38)39)12(3)22(10)30-26(33)13(4)27)29-16-9-17(40(34,35)36)20(28)19-18(16)23(31)14-7-5-6-8-15(14)24(19)32;;/h5-9,29H,4,28H2,1-3H3,(H,30,33)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C(=C(NC=2C=C(C(N)=C3C(=O)C=4C=CC=CC4C(=O)C23)S(=O)(=O)[O-])C(=C(C1C)S(=O)(=O)[O-])C)C)C(Br)=C


name: N-[(2-Chlorophenyl)(4-chlorophenyl)acetyl]glycine
cas: 65148-83-6
chemspiderid: 57490036
dtxsid: DTXSID90793838
formula: C16H13Cl2N1O3
inchikey: KIALAYFXXWVUPQ-UHFFFAOYSA-N
norman_susdat_id: NS00007077
pubchem_cid: 71370877
smiles: OC(=O)CNC(=O)C(c1ccc(Cl)cc1)c1ccccc1Cl
inchi:
InChI=1S/C16H13Cl2NO3/c17-11-7-5-10(6-8-11)15(16(22)19-9-14(20)21)12-3-1-2-4-13(12)18/h1-8,15H,9H2,(H,19,22)(H,20,21)


cas: 65150-88-1
dtxsid: DTXSID30896615
formula: C30F60O10
inchikey: JAKFVMIZGKDDLJ-UHFFFAOYSA-N
norman_susdat_id: NS00110128
name:
2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,28,28,29,29,30,30,30-Dotriacontafluoro-2,5,8,11,14,17,20,23,26-nonakis(trifluoromethyl)-3,6,9,12,15,18,21,24,27-nonaoxatriacontan-1-oyl fluoride

inchi:
InChI=1/C30F60O10/c31-1(91)2(32,12(43,44)45)92-23(75,76)4(35,14(49,50)51)94-25(79,80)6(37,16(55,56)57)96-27(83,84)8(39,18(61,62)63)98-29(87,88)10(41,20(67,68)69)100-30(89,90)11(42,21(70,71)72)99-28(85,86)9(40,19(64,65)66)97-26(81,82)7(38,17(58,59)60)95-24(77,78)5(36,15(52,53)54)93-22(73,74)3(33,34)13(46,47)48

smiles:
FC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F


name: Sodium 10-acetoxy-1-octyldecyl sulphate
cas: 65150-90-5
dtxsid: DTXSID80983721
formula: C20H40O6S
inchikey: WHMNEHNTCGNPEU-UHFFFAOYSA-M
norman_susdat_id: NS00056348
pubchem_cid: 103477
smiles: [Na+].O=C(OCCCCCCCCCC(OS(=O)(=O)[O-])CCCCCCCC)C
inchi:
InChI=1/C20H40O6S.Na/c1-3-4-5-6-10-13-16-20(26-27(22,23)24)17-14-11-8-7-9-12-15-18-25-19(2)21;/h20H,3-18H2,1-2H3,(H,22,23,24);/q;+1/p-1


name: Sodium 9-acetoxy-1-nonylnonyl sulphate
cas: 65150-91-6
dtxsid: DTXSID40983722
formula: C20H40O6S
inchikey: WLPNDFZAYVCXRB-UHFFFAOYSA-M
norman_susdat_id: NS00057107
pubchem_cid: 103479
smiles: [Na+].O=C(OCCCCCCCCC(OS(=O)(=O)[O-])CCCCCCCCC)C
inchi:
InChI=1/C20H40O6S.Na/c1-3-4-5-6-7-10-13-16-20(26-27(22,23)24)17-14-11-8-9-12-15-18-25-19(2)21;/h20H,3-18H2,1-2H3,(H,22,23,24);/q;+1/p-1


name: 1,1,2,2-Tetrahydroperfluorooctadecyl acrylate
cas: 65150-93-8
chemspiderid: 151892
dtxsid: DTXSID3070252
formula: C21H7F33O2
inchikey: UNWCENHMZWUSOR-UHFFFAOYSA-N
norman_susdat_id: NS00011005
pubchem_cid: 174086
inchi:
InChI=1S/C21H7F33O2/c1-2-5(55)56-4-3-6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)15(40,41)16(42,43)17(44,45)18(46,47)19(48,49)20(50,51)21(52,53)54/h2H,1,3-4H2

smiles:
C(OC(C=C)=O)CC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F


name: (Perfluorohexadecyl)ethyl iodide
cas: 65150-94-9
chemspiderid: 93250
dtxsid: DTXSID8070253
formula: C18H4F33I1
inchikey: GCGKXUZHBVVLML-UHFFFAOYSA-N
norman_susdat_id: NS00011026
pubchem_cid: 103259
inchi:
InChI=1S/C18H4F33I/c19-3(20,1-2-52)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)17(47,48)18(49,50)51/h1-2H2

smiles:
C(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 65150-95-0
dtxsid: DTXSID60896527
formula: C15HF29O6
inchikey: IJDRCJGYWUCJTR-UHFFFAOYSA-N
norman_susdat_id: NS00111137
name:
2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-Heptadecafluoro-2,5,8,11-tetrakis(trifluoromethyl)-3,6,9,12-tetraoxapentadecan-1-oic acid

inchi:
InChI=1/C15HF29O6/c16-2(1(45)46,7(22,23)24)47-13(39,40)4(19,9(28,29)30)49-15(43,44)6(21,11(34,35)36)50-14(41,42)5(20,10(31,32)33)48-12(37,38)3(17,18)8(25,26)27/h(H,45,46)

smiles:
OC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F


name: Bis[2-[[4-(diethylamino)phenyl]azo]-3-methylthiazolium] tetrachlorozincate(2-)
cas: 65150-98-3
dtxsid: DTXSID00983723
formula: C14H19N4S
inchikey: RRHUZLSJORGZKE-UHFFFAOYSA-J
norman_susdat_id: NS00056249
pubchem_cid: 73556054
smiles: Cl[Zn-2](Cl)(Cl)Cl.N(=NC=1SC=C[N+]1C)C2=CC=C(C=C2)N(CC)CC.N(=NC=1SC=C[N+]1C)C2=CC=C(C=C2)N(CC)CC
inchi:
InChI=1/2C14H19N4S.4ClH.Zn/c2*1-4-18(5-2)13-8-6-12(7-9-13)15-16-14-17(3)10-11-19-14;;;;;/h2*6-11H,4-5H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H19N4S.Cl4Zn/c2*1-4-18(5-2)13-8-6-12(7-9-13)15-16-14-17(3)10-11-19-14;1-5(2,3)4/h2*6-11H,4-5H2,1-3H3;/q2*+1;-2


name: Disodium 7-[(4-amino-3-methoxyphenyl)azo]naphthalene-1,3-disulphonate
cas: 65151-26-0
dtxsid: DTXSID30889840
formula: C17H15N3O7S2
inchikey: QRSFZPZKWSGHRQ-UHFFFAOYSA-L
norman_susdat_id: NS00057167
pubchem_cid: 103260
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(N=NC3=CC=C(N)C(OC)=C3)C=C2C(=C1)S(=O)(=O)[O-]
inchi:
InChI=1/C17H15N3O7S2.2Na/c1-27-16-8-12(4-5-15(16)18)20-19-11-3-2-10-6-13(28(21,22)23)9-17(14(10)7-11)29(24,25)26;;/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: 1,5-Naphthalenedisulfonic acid, 3-[(4-amino-2-methoxy-5-methylphenyl)azo]-
cas: 65151-27-1
chemspiderid: 89306
dtxsid: DTXSID8070255
formula: C18H17N3O7S2
inchikey: GOYZRNVYLJNOGB-UHFFFAOYSA-N
norman_susdat_id: NS00035819
pubchem_cid: 103262
smiles: COc1c(cc(C)c(N)c1)N=Nc1cc2c(cccc2c(c1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C18H17N3O7S2/c1-10-6-15(16(28-2)9-14(10)19)21-20-11-7-13-12(18(8-11)30(25,26)27)4-3-5-17(13)29(22,23)24/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27)/b21-20-


name: 7,7'-[(4,6-dihydroxy-1,3-phenylene)bis(azo)]bisnaphthalene-1,3-disulphonic acid
cas: 65151-32-8
dtxsid: DTXSID8070257
formula: C26H18N4O14S4
inchikey: WABMIPLTDIMLQX-UHFFFAOYSA-N
norman_susdat_id: NS00057168
pubchem_cid: 103264
inchi:
InChI=1/C26H18N4O14S4/c31-23-12-24(32)22(30-28-16-4-2-14-6-18(46(36,37)38)10-26(20(14)8-16)48(42,43)44)11-21(23)29-27-15-3-1-13-5-17(45(33,34)35)9-25(19(13)7-15)47(39,40)41/h1-12,31-32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)

smiles:
O=S(=O)(O)C1=CC2=CC=C(N=NC=3C=C(N=NC4=CC=C5C=C(C=C(C5=C4)S(=O)(=O)O)S(=O)(=O)O)C(O)=CC3O)C=C2C(=C1)S(=O)(=O)O


cas: 65151-33-9
dtxsid: DTXSID90889841
formula: C34H26N4O16S4
inchikey: OZTABCQEHOKPKS-UHFFFAOYSA-J
norman_susdat_id: NS00056405
pubchem_cid: NA
name:
Tetrasodium 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxynaphthalene-2,7-disulphonate]

inchi:
InChI=1/C34H26N4O16S4.4Na/c1-53-27-13-17(3-9-25(27)35-37-31-23-7-5-21(55(41,42)43)11-19(23)15-29(33(31)39)57(47,48)49)18-4-10-26(28(14-18)54-2)36-38-32-24-8-6-22(56(44,45)46)12-20(24)16-30(34(32)40)58(50,51)52;;;;/h3-16,39-40H,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(O)C2N=NC3=CC=C(C=C3OC)C4=CC=C(N=NC=5C(O)=C(C=C6C=C(C=CC65)S(=O)(=O)[O-])S(=O)(=O)[O-])C(OC)=C4)S(=O)(=O)[O-]


cas: 65151-41-9
formula: C37H32N6O15S4.4Li
inchikey: ASMPXGFEJXMIIN-UHFFFAOYSA-J
norman_susdat_id: NS00088083
name:
Tetralithium 7,7'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-1,3-disulphonate)

inchi:
InChI=1/C37H32N6O15S4.4Li/c1-19-9-31(33(57-3)17-29(19)42-40-23-7-5-21-11-25(59(45,46)47)15-35(27(21)13-23)61(51,52)53)38-37(44)39-32-10-20(2)30(18-34(32)58-4)43-41-24-8-6-22-12-26(60(48,49)50)16-36(28(22)14-24)62(54,55)56;;;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4

smiles:
[Li+].[Li+].[Li+].[Li+].COc6cc(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc3cc4c(cc(cc4cc3)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC


name: Hexadecyl morpholinium hydrogen phosphate
cas: 65151-45-3
formula: C16H35O4P.C4H9NO
inchikey: FVJANLCBOOUXAZ-UHFFFAOYSA-N
norman_susdat_id: NS00088290
smiles: OP([O-])(=O)OCCCCCCCCCCCCCCCC.C1C[NH2+]CCO1
inchi:
InChI=1/C16H35O4P.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-3-6-4-2-5-1/h2-16H2,1H3,(H2,17,18,19);5H,1-4H2


name: Dimorpholinium hexadecyl phosphate
cas: 65151-46-4
formula: C16H35O4P.2C4H9NO
inchikey: RDBHYSAPSXDNIZ-UHFFFAOYSA-N
norman_susdat_id: NS00088084
smiles: CCCCCCCCCCCCCCCCOP(=O)([O-])[O-].C1COCC[NH2+]1.C2COCC[NH2+]2
inchi:
InChI=1/C16H35O4P.2C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;2*1-3-6-4-2-5-1/h2-16H2,1H3,(H2,17,18,19);2*5H,1-4H2


name: Benzyl(hexadecyl)bis(2-hydroxypropyl)ammonium chloride
cas: 65151-48-6
dtxsid: DTXSID00886740
formula: C29H54NO2
inchikey: XURDIXCMWFXRBV-UHFFFAOYSA-M
norman_susdat_id: NS00055842
pubchem_cid: 103275
smiles: [Cl-].OC(C)C[N+](CC=1C=CC=CC1)(CCCCCCCCCCCCCCCC)CC(O)C
inchi:
InChI=1/C29H54NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-30(24-27(2)31,25-28(3)32)26-29-21-18-17-19-22-29;/h17-19,21-22,27-28,31-32H,4-16,20,23-26H2,1-3H3;1H/q+1;/p-1


name: Cyclohexyldiethylammonium hexadecyl sulphate
cas: 65151-49-7
formula: C16H34O4S.C10H21N
inchikey: BPPOEFRYEQSTKL-UHFFFAOYSA-N
norman_susdat_id: NS00088322
smiles: CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH+](CC)C1CCCCC1
inchi:
InChI=1/C16H34O4S.C10H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-3-11(4-2)10-8-6-5-7-9-10/h2-16H2,1H3,(H,17,18,19);10H,3-9H2,1-2H3


name: Benzenamine, 4,4'-[(2,6-dichlorophenyl)methylene]bis[2,6-dimethyl-
cas: 65151-59-9
chemspiderid: 88911
dtxsid: DTXSID8070259
formula: C23H24Cl2N2
inchikey: KCPYHDABININKD-UHFFFAOYSA-N
norman_susdat_id: NS00035821
pubchem_cid: 103278
smiles: Cc1cc(cc(C)c1N)C(c1cc(C)c(N)c(C)c1)c1c(Cl)cccc1Cl
inchi:
InChI=1S/C23H24Cl2N2/c1-12-8-16(9-13(2)22(12)26)20(21-18(24)6-5-7-19(21)25)17-10-14(3)23(27)15(4)11-17/h5-11,20H,26-27H2,1-4H3


name: Ethyl 3-[4-[bis[2-(benzoyloxy)ethyl]amino]phenyl]-2,3-dicyanopropionate
cas: 65151-61-3
dtxsid: DTXSID60886741
formula: C31H29N3O6
inchikey: RBSBTQHUNDPDQR-UHFFFAOYSA-N
norman_susdat_id: NS00055843
pubchem_cid: 64915
smiles: N#CC(C(=O)OCC)C(C#N)C1=CC=C(C=C1)N(CCOC(=O)C=2C=CC=CC2)CCOC(=O)C=3C=CC=CC3
inchi:
InChI=1/C31H29N3O6/c1-2-38-31(37)28(22-33)27(21-32)23-13-15-26(16-14-23)34(17-19-39-29(35)24-9-5-3-6-10-24)18-20-40-30(36)25-11-7-4-8-12-25/h3-16,27-28H,2,17-20H2,1H3


cas: 65151-66-8
formula: C23H21N5O2
inchikey: XBOCSACLCBAIDF-IERUDJENSA-N
norman_susdat_id: NS00056406
pubchem_cid: NA
smiles: O=C1ON(C(C=2C=CC=CC2)=C1C=CC3N(C4=NC=5C=CC=CC5N=C4[NH+]3C)C)C.O=S(=O)([O-])C1=CC=C(C=C1)C
name:
2-[2-(2,5-dihydro-2-methyl-5-oxo-3-phenylisoxazol-4-yl)vinyl]-1,3-dimethyl-1H-imidazo[4,5-b]quinoxalinium toluene-p-sulphonate

inchi:
InChI=1/C23H21N5O2.C7H8O3S/c1-26-19(27(2)22-21(26)24-17-11-7-8-12-18(17)25-22)14-13-16-20(28(3)30-23(16)29)15-9-5-4-6-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h4-14,19H,1-3H3;2-5H,1H3,(H,8,9,10)


name: Dilithium 2-[6-(6-methyl-7-sulphonatobenzothiazol-2-yl)-2-quinolyl]-1,3-dioxoindan-5-carboxylate
cas: 65151-69-1
formula: C27H16N2O7S2.2Li
inchikey: BQVMZVAZYJYEJS-UHFFFAOYSA-L
norman_susdat_id: NS00088733
smiles: [Li+].[Li+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc4nc(ccc4c3)C5C(=O)c6ccc(cc6C5=O)C(=O)[O-]
inchi:
InChI=1/C27H16N2O7S2.2Li/c1-12-2-7-20-24(25(12)38(34,35)36)37-26(29-20)14-5-8-18-13(10-14)4-9-19(28-18)21-22(30)16-6-3-15(27(32)33)11-17(16)23(21)31;;/h2-11,21H,1H3,(H,32,33)(H,34,35,36);;/q;2*+1/p-2


name: Sodium 1-methyl 9-sulphooctadecanoate
cas: 65151-73-7
formula: C19H38O5S
inchikey: WDWPMMUKLPOPIR-UHFFFAOYSA-N
norman_susdat_id: NS00056313
pubchem_cid: 21117830
smiles: [Na+].O=C(OC)CCCCCCCC(CCCCCCCCC)S(=O)(=O)O
inchi:
InChI=1/C19H38O5S.Na/c1-3-4-5-6-7-9-12-15-18(25(21,22)23)16-13-10-8-11-14-17-19(20)24-2;/h18H,3-17H2,1-2H3,(H,21,22,23);/q;+1


name: 10-(sulphooxy)octadecanoic acid
cas: 65151-74-8
formula: C18H36O6S
inchikey: UTCQDHSSQWLJPP-UHFFFAOYSA-N
norman_susdat_id: NS00088323
smiles: CCCCCCCCC(CCCCCCCCC(=O)O)OS(=O)(=O)O
inchi:
InChI=1/C18H36O6S/c1-2-3-4-5-8-11-14-17(24-25(21,22)23)15-12-9-6-7-10-13-16-18(19)20/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23)


name: Disodium 10-(sulphonatooxy)octadecanoate
cas: 65151-75-9
dtxsid: DTXSID70889844
formula: C18H36O6S
inchikey: REHBUQHMOSHVSP-UHFFFAOYSA-L
norman_susdat_id: NS00056314
pubchem_cid: 103483
smiles: [Na+].[Na+].O=C([O-])CCCCCCCCC(OS(=O)(=O)[O-])CCCCCCCC
inchi:
InChI=1/C18H36O6S.2Na/c1-2-3-4-5-8-11-14-17(24-25(21,22)23)15-12-9-6-7-10-13-16-18(19)20;;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);;/q;2*+1/p-2


name: Disodium 9-(sulphonatooxy)octadecanoate
cas: 65151-76-0
formula: C18H36O6S.2Na
inchikey: VGTVRFVVWNDJDH-UHFFFAOYSA-L
norman_susdat_id: NS00088734
smiles: [Na+].[Na+].CCCCCCCCCC(CCCCCCCC(=O)[O-])OS(=O)(=O)[O-]
inchi:
InChI=1/C18H36O6S.2Na/c1-2-3-4-5-6-8-11-14-17(24-25(21,22)23)15-12-9-7-10-13-16-18(19)20;;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);;/q;2*+1/p-2


name: Diammonium octadecyl phosphate
cas: 65151-77-1
formula: C18H39O4P.2H3N
inchikey: FHAACVJVFVCZFO-UHFFFAOYSA-N
norman_susdat_id: NS00088334
smiles: [NH4+].[NH4+].CCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C18H39O4P.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;;/h2-18H2,1H3,(H2,19,20,21);2*1H3


name: Octadecyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:2)
cas: 65151-78-2
formula: C18H39O4P.2C4H11NO2
inchikey: IVRRIAWKYOURJW-UHFFFAOYSA-N
norman_susdat_id: NS00088291
smiles: CCCCCCCCCCCCCCCCCCOP(=O)(O)O.OCCNCCO.OCCNCCO
inchi:
InChI=1/C18H39O4P.2C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;2*6-3-1-5-2-4-7/h2-18H2,1H3,(H2,19,20,21);2*5-7H,1-4H2


name: Octadecyl dihydrogen phosphate, compound with morpholine (1:1)
cas: 65151-79-3
formula: C18H39O4P.C4H9NO
inchikey: ILUZPJBIODEBLQ-UHFFFAOYSA-N
norman_susdat_id: NS00088091
smiles: CCCCCCCCCCCCCCCCCCOP(=O)(O)O.C1COCCN1
inchi:
InChI=1/C18H39O4P.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-3-6-4-2-5-1/h2-18H2,1H3,(H2,19,20,21);5H,1-4H2


name: Octadecyl dihydrogen phosphate, compound with morpholine (1:2)
cas: 65151-80-6
formula: C18H39O4P.2C4H9NO
inchikey: USOLOWNPPGJNGV-UHFFFAOYSA-N
norman_susdat_id: NS00088745
smiles: CCCCCCCCCCCCCCCCCCOP(=O)(O)O.C1COCCN1.C2COCCN2
inchi:
InChI=1/C18H39O4P.2C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;2*1-3-6-4-2-5-1/h2-18H2,1H3,(H2,19,20,21);2*5H,1-4H2


name: Cyclohexyldiethylammonium octadecyl sulphate
cas: 65151-82-8
formula: C18H38O4S.C10H21N
inchikey: IFZMLCRPBDKLQL-UHFFFAOYSA-N
norman_susdat_id: NS00088746
smiles: CCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CC[NH+](CC)C1CCCCC1
inchi:
InChI=1/C18H38O4S.C10H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-3-11(4-2)10-8-6-5-7-9-10/h2-18H2,1H3,(H,19,20,21);10H,3-9H2,1-2H3


name: Octyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)
cas: 65151-84-0
formula: C8H19O4P.C4H11NO2
inchikey: ITSXQPHPQLBAHV-UHFFFAOYSA-N
norman_susdat_id: NS00088092
smiles: CCCCCCCCOP(=O)(O)O.OCCNCCO
inchi:
InChI=1/C8H19O4P.C4H11NO2/c1-2-3-4-5-6-7-8-12-13(9,10)11;6-3-1-5-2-4-7/h2-8H2,1H3,(H2,9,10,11);5-7H,1-4H2


name: Octyl dihydrogen phosphate, compound with morpholine (1:1)
cas: 65151-85-1
formula: C8H19O4P.C4H9NO
inchikey: SRRAJIMIBLFWNS-UHFFFAOYSA-N
norman_susdat_id: NS00088747
smiles: CCCCCCCCOP(=O)(O)O.C1COCCN1
inchi:
InChI=1/C8H19O4P.C4H9NO/c1-2-3-4-5-6-7-8-12-13(9,10)11;1-3-6-4-2-5-1/h2-8H2,1H3,(H2,9,10,11);5H,1-4H2


name: Octyl dihydrogen phosphate, compound with morpholine (1:2)
cas: 65151-86-2
formula: C8H19O4P.2C4H9NO
inchikey: FOIZOXISUCYVPV-UHFFFAOYSA-N
norman_susdat_id: NS00088335
smiles: OP(=O)(O)OCCCCCCCC.C1COCCN1.C1CNCCO1
inchi:
InChI=1/C8H19O4P.2C4H9NO/c1-2-3-4-5-6-7-8-12-13(9,10)11;2*1-3-6-4-2-5-1/h2-8H2,1H3,(H2,9,10,11);2*5H,1-4H2


name: Sodium octadecadienyl sulphate
cas: 65151-89-5
formula: C18H34O4S
inchikey: PHYHEYLWAZJDDA-UHFFFAOYSA-M
norman_susdat_id: NS00055862
pubchem_cid: 71439364
smiles: [Na+].O=S(=O)([O-])OC=CC=CCCCCCCCCCCCCCC
inchi:
InChI=1/C18H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h15-18H,2-14H2,1H3,(H,19,20,21);/q;+1/p-1


name: Hexadecenyl dihydrogen phosphate
cas: 65151-91-9
dtxsid: DTXSID30983731
formula: C16H33O4P
inchikey: BDRBWWXJFWOLSI-UHFFFAOYSA-N
norman_susdat_id: NS00057189
pubchem_cid: 53676700
smiles: O=P(O)(O)OC=CCCCCCCCCCCCCCC
inchi:
InChI=1/C16H33O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19/h15-16H,2-14H2,1H3,(H2,17,18,19)


name: Sodium acetoxyoctadecyl sulphate
cas: 65151-94-2
dtxsid: DTXSID0095419
formula: C20H40O6S
inchikey: QRDGCBJJGZYCHH-UHFFFAOYSA-M
norman_susdat_id: NS00056419
pubchem_cid: 6365612
smiles: [Na+].O=C(OC(OS(=O)(=O)[O-])CCCCCCCCCCCCCCCCC)C
inchi:
InChI=1/C20H40O6S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(25-19(2)21)26-27(22,23)24;/h20H,3-18H2,1-2H3,(H,22,23,24);/q;+1/p-1


name: 5-[(3-methylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetic acid
cas: 65152-09-2
chebiid: CHEBI:107451
dtxsid: DTXSID60886746
formula: C11H12N2O3S3
inchikey: AMSAICQWZZDCEM-UHFFFAOYSA-N
norman_susdat_id: NS00056315
pubchem_cid: 103296
smiles: O=C(O)CN1C(=O)C(SC1=S)=CC=C2SCCN2C
inchi:
InChI=1/C11H12N2O3S3/c1-12-4-5-18-8(12)3-2-7-10(16)13(6-9(14)15)11(17)19-7/h2-3H,4-6H2,1H3,(H,14,15)


name: Calcium 1-amino-4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]naphthalene-2-sulphonate
cas: 65152-16-1
dtxsid: DTXSID7070266
formula: C17H14ClN3O6S2
inchikey: RXBBZSCCJAVCHV-UHFFFAOYSA-L
norman_susdat_id: NS00056316
pubchem_cid: 103301
smiles: [Ca+2].O=S(=O)([O-])C1=CC(=C(Cl)C=C1N=NC2=CC(=C(N)C=3C=CC=CC23)S(=O)(=O)[O-])C
inchi:
InChI=1/C17H14ClN3O6S2.Ca/c1-9-6-15(28(22,23)24)14(7-12(9)18)21-20-13-8-16(29(25,26)27)17(19)11-5-3-2-4-10(11)13;/h2-8H,19H2,1H3,(H,22,23,24)(H,25,26,27);/q;+2/p-2


name: Strontium 1-amino-4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]naphthalene-2-sulphonate
cas: 65152-17-2
formula: C17H14ClN3O6S2.Sr
inchikey: RQVCFSRRUGBFLS-UHFFFAOYSA-L
norman_susdat_id: NS00088336
smiles: [Sr+2].Cc1cc(c(cc1Cl)N=Nc3cc(c(N)c2ccccc23)S([O-])(=O)=O)S([O-])(=O)=O
inchi:
InChI=1/C17H14ClN3O6S2.Sr/c1-9-6-15(28(22,23)24)14(7-12(9)18)21-20-13-8-16(29(25,26)27)17(19)11-5-3-2-4-10(11)13;/h2-8H,19H2,1H3,(H,22,23,24)(H,25,26,27);/q;+2/p-2


name: 2-Naphthalenesulfonic acid, 1-amino-4-[(4-methyl-2-sulfophenyl)azo]-, calcium salt (1:1)
cas: 65152-20-7
chemspiderid: 93290
dtxsid: DTXSID2070269
formula: C17H15N3O6S2
inchikey: DAECNVZEQKEXCN-UHFFFAOYSA-L
norman_susdat_id: NS00020687
pubchem_cid: 103306
smiles: [Ca++].Cc1ccc(N=Nc2cc(c(N)c3ccccc23)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-]
inchi:
InChI=1S/C17H15N3O6S2/c1-10-6-7-13(15(8-10)27(21,22)23)19-20-14-9-16(28(24,25)26)17(18)12-5-3-2-4-11(12)14/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26)/b20-19+


cas: 65152-25-2
dtxsid: DTXSID50889847
formula: C27H20N4O9S2
inchikey: GNYMKEYZWMYDGM-UHFFFAOYSA-L
norman_susdat_id: NS00056420
pubchem_cid: 103309
name:
Disodium 4-hydroxy-7-[[[(5-hydroxy-7-sulphonato-2-naphthyl)amino]carbonyl]amino]-3-(phenylazo)naphthalene-2-sulphonate

inchi:
InChI=1/C27H20N4O9S2.2Na/c32-23-14-20(41(35,36)37)12-15-10-18(6-8-21(15)23)28-27(34)29-19-7-9-22-16(11-19)13-24(42(38,39)40)25(26(22)33)31-30-17-4-2-1-3-5-17;;/h1-14,32-33H,(H2,28,29,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC2=C(O)C=C(C=C2C1)S(=O)(=O)[O-])NC=3C=CC=4C(C3)=CC(=C(N=NC=5C=CC=CC5)C4O)S(=O)(=O)[O-]


name: 1-methoxy-5-methylphenazinium methyl sulphate
cas: 65162-13-2
dtxsid: DTXSID40215474
formula: C14H13N2O
inchikey: MASUWVVNWALEEM-UHFFFAOYSA-M
norman_susdat_id: NS00057241
pubchem_cid: 127832
smiles: O=S(=O)([O-])OC.N=1C=2C=CC=CC2[N+](=C3C=CC=C(OC)C13)C
inchi:
InChI=1/C14H13N2O.CH4O4S/c1-16-11-7-4-3-6-10(11)15-14-12(16)8-5-9-13(14)17-2;1-5-6(2,3)4/h3-9H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


name: Sodium 1-acetoxytetradecanol sulphate
cas: 65166-19-0
dtxsid: DTXSID9095420
formula: C16H32O6S
inchikey: SHKGAKZTRCENGN-UHFFFAOYSA-M
norman_susdat_id: NS00057242
pubchem_cid: NA
smiles: [Na+].O=C(OC(OS(=O)(=O)[O-])CCCCCCCCCCCCC)C
inchi:
InChI=1/C16H32O6S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(21-15(2)17)22-23(18,19)20;/h16H,3-14H2,1-2H3,(H,18,19,20);/q;+1/p-1


name: Sodium 1-acetoxyhexadecanol sulphate
cas: 65166-23-6
formula: C18H36O6S
inchikey: ZECTZZMOGWQPLD-UHFFFAOYSA-M
norman_susdat_id: NS00055921
pubchem_cid: NA
smiles: [Na+].O=C(OC(OS(=O)(=O)[O-])CCCCCCCCCCCCCCC)C
inchi:
InChI=1/C18H36O6S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(23-17(2)19)24-25(20,21)22;/h18H,3-16H2,1-2H3,(H,20,21,22);/q;+1/p-1


name: 1-methyl-4-[2-(3-nitrophenyl)vinyl]cinnolinium toluene-p-sulphonate
cas: 65168-11-8
dtxsid: DTXSID1070272
formula: C17H15N3O2
inchikey: IQPKZDLCDCFIOS-RRABGKBLSA-M
norman_susdat_id: NS00055922
pubchem_cid: 6455061
smiles: O=[N+]([O-])C=1C=CC=C(C=CC2=CN=[N+](C=3C=CC=CC23)C)C1.O=S(=O)([O-])C1=CC=C(C=C1)C
inchi:
InChI=1/C17H14N3O2.C7H8O3S/c1-19-17-8-3-2-7-16(17)14(12-18-19)10-9-13-5-4-6-15(11-13)20(21)22;1-6-2-4-7(5-3-6)11(8,9)10/h2-12H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 1,3-Naphthalenedisulfonic acid, 7-[(4-amino-2-methoxy-5-methylphenyl)azo]-
cas: 65168-14-1
chemspiderid: 93293
dtxsid: DTXSID6070273
formula: C18H17N3O7S2
inchikey: QPRHJNURPQUWMK-UHFFFAOYSA-N
norman_susdat_id: NS00035827
pubchem_cid: 103313
smiles: COc1c(cc(C)c(N)c1)N=Nc1cc2c(cc1)cc(cc2S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C18H17N3O7S2/c1-10-5-16(17(28-2)9-15(10)19)21-20-12-4-3-11-6-13(29(22,23)24)8-18(14(11)7-12)30(25,26)27/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27)


cas: 65168-20-9
formula: C30H24N4O8S2.2Na
inchikey: PZENUETZKKBROI-UHFFFAOYSA-L
norman_susdat_id: NS00088356
smiles: [Na+].[Na+].Oc1ccc(cc1)N=Nc2ccc(cc2C)c5ccc(N=Nc3c4c(ccc3O)cc(cc4S([O-])(=O)=O)S([O-])(=O)=O)c(C)c5
name:
Disodium 7-hydroxy-8-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C30H24N4O8S2.2Na/c1-17-13-19(3-10-25(17)32-31-22-6-8-23(35)9-7-22)20-4-11-26(18(2)14-20)33-34-30-27(36)12-5-21-15-24(43(37,38)39)16-28(29(21)30)44(40,41)42;;/h3-16,35-36H,1-2H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2


name: alpha-(1-(Phenylmethyl)piperidin-4-ylidene)phenylacetonitrile
cas: 6517-69-7
chemspiderid: 99814
dtxsid: DTXSID80215478
formula: C20H20N2
inchikey: FYLYJFHTUXMPDE-UHFFFAOYSA-N
norman_susdat_id: NS00035828
pubchem_cid: 111223
smiles: N#CC(=C1CCN(Cc2ccccc2)CC1)c1ccccc1
inchi:
InChI=1S/C20H20N2/c21-15-20(18-9-5-2-6-10-18)19-11-13-22(14-12-19)16-17-7-3-1-4-8-17/h1-10H,11-14,16H2


name: 4-[[[4-(dimethylamino)phenyl]methylene]amino]-N-ethyl-N-phenyltoluene-2-sulphonamide
cas: 65175-29-3
formula: C24H27N3O2S
inchikey: BSNGBUCLOVHXSV-UHFFFAOYSA-N
norman_susdat_id: NS00056467
pubchem_cid: 3017572
smiles: O=S(=O)(C1=CC(N=CC2=CC=C(C=C2)N(C)C)=CC=C1C)N(C=3C=CC=CC3)CC
inchi:
InChI=1/C24H27N3O2S/c1-5-27(23-9-7-6-8-10-23)30(28,29)24-17-21(14-11-19(24)2)25-18-20-12-15-22(16-13-20)26(3)4/h6-18H,5H2,1-4H3


name: N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]dodecanamide
cas: 65179-50-2
dtxsid: DTXSID50983753
formula: C18H40N4O
inchikey: BVTFPKVMGFMGFX-UHFFFAOYSA-N
norman_susdat_id: NS00057243
pubchem_cid: 3017573
smiles: O=C(NCCNCCNCCN)CCCCCCCCCCC
inchi:
InChI=1/C18H40N4O/c1-2-3-4-5-6-7-8-9-10-11-18(23)22-17-16-21-15-14-20-13-12-19/h20-21H,2-17,19H2,1H3,(H,22,23)


cas: 65180-62-3
dtxsid: DTXSID1070274
formula: C31H30Cl3N7O17S6
inchikey: IVOQXPVUAZBANB-UHFFFAOYSA-N
norman_susdat_id: NS00055923
pubchem_cid: 163479
name:
2-[[8-[[4-[bis[2-[(2-chloroethyl)sulphonyl]ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid

inchi:
InChI=1/C31H30Cl3N7O17S6/c32-6-10-59(43,44)12-8-41(9-13-60(45,46)11-7-33)31-37-29(34)36-30(38-31)35-22-16-18(61(47,48)49)14-17-15-24(63(53,54)55)26(27(42)25(17)22)40-39-21-5-4-19-20(28(21)64(56,57)58)2-1-3-23(19)62(50,51)52/h1-5,14-16,42H,6-13H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,35,36,37,38)

smiles:
O=S(=O)(O)C1=CC=2C=C(C(N=NC3=CC=C4C(C=CC=C4S(=O)(=O)O)=C3S(=O)(=O)O)=C(O)C2C(=C1)NC5=NC(Cl)=NC(=N5)N(CCS(=O)(=O)CCCl)CCS(=O)(=O)CCCl)S(=O)(=O)O


name: 1-(4-amino-2-sulphophenyl)-4,5-dihydro-5-oxo-4-[(2-sulphophenyl)azo]-1H-pyrazole-3-carboxylic acid
cas: 65180-69-0
formula: C16H13N5O9S2
inchikey: YXPDUETWSLXPAL-UHFFFAOYSA-N
norman_susdat_id: NS00057259
pubchem_cid: 3017574
smiles: O=C(O)C1=NN(C(=O)C1N=NC=2C=CC=CC2S(=O)(=O)O)C3=CC=C(N)C=C3S(=O)(=O)O
inchi:
InChI=1/C16H13N5O9S2/c17-8-5-6-10(12(7-8)32(28,29)30)21-15(22)13(14(20-21)16(23)24)19-18-9-3-1-2-4-11(9)31(25,26)27/h1-7,13H,17H2,(H,23,24)(H,25,26,27)(H,28,29,30)


name: [1,1'-Biphenyl]-4,4'-diamine, N,N'-bis(3-methylphenyl)-N,N'-diphenyl-
cas: 65181-78-4
chemspiderid: 93294
dtxsid: DTXSID6070275
formula: C38H32N2
inchikey: OGGKVJMNFFSDEV-UHFFFAOYSA-N
norman_susdat_id: NS00035830
pubchem_cid: 103315
smiles: CC1=CC(=CC=C1)N(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC(C)=C1
inchi:
InChI=1S/C38H32N2/c1-29-11-9-17-37(27-29)39(33-13-5-3-6-14-33)35-23-19-31(20-24-35)32-21-25-36(26-22-32)40(34-15-7-4-8-16-34)38-18-10-12-30(2)28-38/h3-28H,1-2H3


name: Teoprolol
cas: 65184-10-3
formula: C23H30N6O4
inchikey: HITMZSXZYGLDCV-UHFFFAOYSA-N
norman_susdat_id: NS00057260
pubchem_cid: 68852
smiles: O=C1C2=C(N=CN2CCC(NCC(O)COC3=CC=CC=4NC(=CC34)C)C)N(C(=O)N1C)C
inchi:
InChI=1/C23H30N6O4/c1-14(8-9-29-13-25-21-20(29)22(31)28(4)23(32)27(21)3)24-11-16(30)12-33-19-7-5-6-18-17(19)10-15(2)26-18/h5-7,10,13-14,16,24,26,30H,8-9,11-12H2,1-4H3


name: C14-LAS m=12,n=1
cas: 65186-01-8
chemspiderid: 158704
dtxsid: DTXSID30880453
formula: C20H34O3S
inchikey: JWRVRWIPVKBTBL-UHFFFAOYSA-N
norman_susdat_id: NS00094974
pubchem_cid: 182472
smiles: CCCCCCCCCCCC(CC)c1ccc(cc1)S(=O)(=O)O
inchi:
InChI=1S/C20H34O3S/c1-3-5-6-7-8-9-10-11-12-13-18(4-2)19-14-16-20(17-15-19)24(21,22)23/h14-18H,3-13H2,1-2H3,(H,21,22,23)


name: 4-(Tridecan-3-yl)benzene-1-sulfonic acid
cas: 65186-02-9
chemspiderid: 21106548
dtxsid: DTXSID80873436
formula: C19H32O3S1
inchikey: QAFZYDRHQRILAT-UHFFFAOYSA-N
norman_susdat_id: NS00014169
pubchem_cid: 15593884
smiles: CCCCCCCCCCC(CC)C1=CC=C(C=C1)S(O)(=O)=O
inchi:
InChI=1S/C19H32O3S/c1-3-5-6-7-8-9-10-11-12-17(4-2)18-13-15-19(16-14-18)23(20,21)22/h13-17H,3-12H2,1-2H3,(H,20,21,22)


name: 2-[(2-Hydroxyethyl)(1-oxohexadecyl)amino]ethyl palmitate
cas: 65186-10-9
chemspiderid: 93295
dtxsid: DTXSID1070276
formula: C36H71N1O4
inchikey: AZZDHTGSIWDSIK-UHFFFAOYSA-N
norman_susdat_id: NS00035831
pubchem_cid: 103316
smiles: CCCCCCCCCCCCCCCC(=O)OCCN(CCO)C(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C36H71NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(39)37(31-33-38)32-34-41-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38H,3-34H2,1-2H3


name: 1,1'-Oxybis(tridecane)
cas: 65193-89-7
chemspiderid: 4957349
dtxsid: DTXSID90215500
formula: C26H54O1
inchikey: CSHOPPGMNYULAD-UHFFFAOYSA-N
norman_susdat_id: NS00035832
pubchem_cid: 6455068
smiles: CCCCCCCCCCCCCOCCCCCCCCCCCCC
inchi:
InChI=1S/C26H54O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3


name: [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 2-cyano-4-heptylphenyl ester
cas: 65195-04-2
chemspiderid: 93296
dtxsid: DTXSID6070277
formula: C32H37N1O2
inchikey: XCAOWKAPACBAIJ-UHFFFAOYSA-N
norman_susdat_id: NS00035833
pubchem_cid: 103319
smiles: CCCCCCCc1cc(C#N)c(OC(=O)c2ccc(cc2)c2ccc(CCCCC)cc2)cc1
inchi:
InChI=1S/C32H37NO2/c1-3-5-7-8-10-12-26-15-22-31(30(23-26)24-33)35-32(34)29-20-18-28(19-21-29)27-16-13-25(14-17-27)11-9-6-4-2/h13-23H,3-12H2,1-2H3


name: Avermectin A1a
cas: 65195-51-9
dtxsid: DTXSID8058613
formula: C49H74O14
inchikey: AFSHKCWTGFDXJR-SQOHEDJBSA-N
norman_susdat_id: NS00076439
inchi:
InChI=1S/C49H74O14/c1-12-26(2)43-29(5)18-19-48(63-43)24-35-21-34(62-48)17-16-28(4)42(60-40-23-38(54-10)45(32(8)58-40)61-39-22-37(53-9)41(50)31(7)57-39)27(3)14-13-15-33-25-56-46-44(55-11)30(6)20-36(47(51)59-35)49(33,46)52/h13-16,18-20,26-27,29,31-32,34-46,50,52H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46+,48+,49+/m0/s1

smiles:
[H][C@@]12OCC3=C/C=C/[C@H](C)[C@H](O[C@@]4([H])C[C@H](OC)[C@@H](O[C@@]5([H])C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)C(C)=CC[C@]4([H])C[C@@]([H])(C[C@]5(O4)O[C@]([H])([C@@H](C)CC)[C@@H](C)C=C5)OC(=O)[C@]([H])(C=C(C)[C@H]1OC)[C@@]23O


name: Abamectin B1a
cas: 65195-55-3
chebiid: CHEBI:29534
chemspiderid: 32700045
dtxsid: DTXSID9058238
formula: C48H72O14
inchikey: RRZXIRBKKLTSOM-XPNPUAGNSA-N
norman_susdat_id: NS00002049
pubchem_cid: 6434889
inchi:
InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1

smiles:
CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C=C[C@@H]1C


name: Avermectin B1b
cas: 65195-56-4
chemspiderid: 32701402
dtxsid: DTXSID4058239
formula: C47H70O14
inchikey: ZFUKERYTFURFGA-ZTLRWMRRSA-N
norman_susdat_id: NS00008552
pubchem_cid: 69305103
inchi:
InChI=1S/C47H70O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b12-11+,26-14+,31-13?/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1

smiles:
CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]2[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]5C[C@@H](CC=C2/C)O[C@@]2(C5)O[C@H](C(C)C)[C@@H](C)C=C2)[C@]34O)O[C@@H](C)[C@@H]1O


name: Gossypin
cas: 652-78-8
chebiid: CHEBI:5525
chemspiderid: 16498787
dtxsid: DTXSID60215512
formula: C21H20O13
inchikey: SJRXVLUZMMDCNG-KKPQBLLMSA-N
norman_susdat_id: NS00035855
pubchem_cid: 5281621
smiles: OC[C@H]1O[C@H](Oc2c3oc(c(O)c(=O)c3c(O)cc2O)c2cc(O)c(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-27,29-31H,5H2/t11-,13-,15+,17-,21-/m1/s1


name: Tetrabutylammonium periodate
cas: 65201-77-6
formula: C16H36N.IO4
inchikey: PYVXLMQALOZKES-UHFFFAOYSA-M
norman_susdat_id: NS00087918
smiles: CCCC[N+](CCCC)(CCCC)CCCC.[O-]I(=O)(=O)=O
inchi:
InChI=1/C16H36N.HIO4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;(H,2,3,4,5)/q+1;/p-1


name: 2-Naphthalenecarboxamide, 1-hydroxy-4-nitro-N,N-dioctadecyl-
cas: 65208-16-4
chemspiderid: 93297
dtxsid: DTXSID1070278
formula: C47H80N2O4
inchikey: BZOKRYKBBHMPEQ-UHFFFAOYSA-N
norman_susdat_id: NS00035835
pubchem_cid: 103322
smiles: CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c1c(O)c2c(cccc2)c(c1)[N+](=O)[O-]
inchi:
InChI=1S/C47H80N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-48(40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)47(51)44-41-45(49(52)53)42-37-33-34-38-43(42)46(44)50/h33-34,37-38,41,50H,3-32,35-36,39-40H2,1-2H3


name: Ethanol, 2,2'-[[4-[[4-(3,3-dimethyl-1-triazenyl)phenyl]azo]phenyl]imino]bis-
cas: 65208-17-5
chemspiderid: 87837
dtxsid: DTXSID6070279
formula: C18H24N6O2
inchikey: FLTUKZXDNDUEPV-UHFFFAOYSA-N
norman_susdat_id: NS00035836
pubchem_cid: 97314
smiles: CN(C)N=Nc1ccc(cc1)N=Nc1ccc(cc1)N(CCO)CCO
inchi:
InChI=1S/C18H24N6O2/c1-23(2)22-21-17-5-3-15(4-6-17)19-20-16-7-9-18(10-8-16)24(11-13-25)12-14-26/h3-10,25-26H,11-14H2,1-2H3/b20-19+,22-21-


name: 1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]-m-tolyl]ethylamino]ethyl]pyrrolidine-2,5-dione
cas: 65208-23-3
dtxsid: DTXSID80886748
formula: C21H23ClN5O4
inchikey: KHSSMHODUXTBDV-UHFFFAOYSA-N
norman_susdat_id: NS00055986
pubchem_cid: 103323
smiles: O=C1N(C(=O)CC1)CCN(C2=CC=C(N=NC3=CC=C(C=C3Cl)[N+](=O)[O-])C(=C2)C)CC
inchi:
InChI=1/C21H22ClN5O4/c1-3-25(10-11-26-20(28)8-9-21(26)29)15-4-6-18(14(2)12-15)23-24-19-7-5-16(27(30)31)13-17(19)22/h4-7,12-13H,3,8-11H2,1-2H3


cas: 65208-24-4
chemspiderid: 7852174
dtxsid: DTXSID5070280
formula: C23H17F1N4O9S3
inchikey: XLIIXVCJFYLNTH-UHFFFAOYSA-N
norman_susdat_id: NS00035837
pubchem_cid: NA
smiles: CS(=O)(=O)c1c(N/N=C/2C=Cc3c(cccc3NS(=O)(=O)c3cc(ccc3)S(=O)(=O)F)C2=O)ccc(c1)[N+](=O)[O-]
name:
Benzenesulfonyl fluoride, 3-[[[5-hydroxy-6-[[2-(methylsulfonyl)-4-nitrophenyl]azo]-1-naphthalenyl]amino]sulfonyl]-

inchi:
InChI=1S/C23H17FN4O9S3/c1-38(32,33)22-12-14(28(30)31)8-10-20(22)25-26-21-11-9-17-18(23(21)29)6-3-7-19(17)27-40(36,37)16-5-2-4-15(13-16)39(24,34)35/h2-13,25,27H,1H3/b26-21+


name: 1H-Isoindole-1,3(2H)-dione, 2-[2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl]-
cas: 65208-25-5
chemspiderid: 93299
dtxsid: DTXSID0070281
formula: C24H21N5O4
inchikey: CVBYCXSEWNPNEC-UHFFFAOYSA-N
norman_susdat_id: NS00035838
pubchem_cid: 103324
smiles: CCN(CCN1C(=O)c2c(cccc2)C1=O)c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C24H21N5O4/c1-2-27(15-16-28-23(30)21-5-3-4-6-22(21)24(28)31)19-11-7-17(8-12-19)25-26-18-9-13-20(14-10-18)29(32)33/h3-14H,2,15-16H2,1H3/b26-25-


cas: 65208-30-2
dtxsid: DTXSID40886749
formula: C25H24N4S2
inchikey: KUWSCZAJGCYZFJ-UHFFFAOYSA-N
norman_susdat_id: NS00055547
pubchem_cid: 103325
smiles: N#CC(C#N)=CC1=CC=C2C(=C1)C(C)CC(N2CCSC3=NC=4C=CC=CC4S3)(C)C
name:
[[1-[2-(2-benzothiazolylthio)ethyl]-1,2,3,4-tetrahydro-2,2,4-trimethylquinolin-6-yl]methylene]malononitrile

inchi:
InChI=1/C25H24N4S2/c1-17-14-25(2,3)29(10-11-30-24-28-21-6-4-5-7-23(21)31-24)22-9-8-18(13-20(17)22)12-19(15-26)16-27/h4-9,12-13,17H,10-11,14H2,1-3H3


name: Acetamide, N-[2-[(2,6-dibromo-4-nitrophenyl)azo]-5-[[2-(2-ethoxyethoxy)ethyl]ethylamino]phenyl]-
cas: 65208-31-3
chemspiderid: 93301
dtxsid: DTXSID5070282
formula: C22H27Br2N5O5
inchikey: LGKOFTCGDOTCJS-UHFFFAOYSA-N
norman_susdat_id: NS00035839
pubchem_cid: 103326
smiles: CCOCCOCCN(CC)c1cc(NC(=O)C)c(cc1)N=Nc1c(Br)cc(cc1Br)[N+](=O)[O-]
inchi:
InChI=1S/C22H27Br2N5O5/c1-4-28(8-9-34-11-10-33-5-2)16-6-7-20(21(14-16)25-15(3)30)26-27-22-18(23)12-17(29(31)32)13-19(22)24/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,25,30)/b27-26+


name: 2-Naphthalenecarboxamide, 4-amino-1-hydroxy-N,N-dioctadecyl-
cas: 65208-33-5
chemspiderid: 93302
dtxsid: DTXSID0070283
formula: C47H82N2O2
inchikey: MNTWOZWDLYSWPQ-UHFFFAOYSA-N
norman_susdat_id: NS00035840
pubchem_cid: 103328
smiles: CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c1c(O)c2c(cccc2)c(N)c1
inchi:
InChI=1S/C47H82N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-49(47(51)44-41-45(48)42-37-33-34-38-43(42)46(44)50)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38,41,50H,3-32,35-36,39-40,48H2,1-2H3


cas: 65208-35-7
dtxsid: DTXSID00882848
norman_susdat_id: NS00108910
name:
Poly[oxy[trifluoro(trifluoromethyl)-1,2-ethanediyl]], .alpha.-[1,2,2,2-tetrafluoro-1-(fluorocarbonyl)ethyl]-.omega.-[tetrafluoro(trifluoromethyl)ethoxy]-


cas: 65212-76-2
inchikey: NPHMJNPFGARTFL-UHFFFAOYSA-L
norman_susdat_id: NS00078394
smiles: [Na+].[Na+].CC1=NN(C(=O)C1N=Nc1cc(Cl)c(Cl)cc1S([O-])(=O)=O)c1cccc(c1)S([O-])(=O)=O
name:
disodium 4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate


cas: 65212-77-3
dtxsid: DTXSID10886751
formula: C16H10CaCl2N4O7S2
inchikey: KJAXOZTWNHRZQG-UHFFFAOYSA-L
norman_susdat_id: NS00074415
smiles: [Ca++].CC1=NN(C(=O)C1N=NC1=CC(Cl)=C(Cl)C=C1S([O-])(=O)=O)C1=CC=CC(=C1)S([O-])(=O)=O
name:
Calcium 4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate

inchi:
InChI=1/C16H12Cl2N4O7S2.Ca/c1-8-15(20-19-13-6-11(17)12(18)7-14(13)31(27,28)29)16(23)22(21-8)9-3-2-4-10(5-9)30(24,25)26;/h2-7,15H,1H3,(H,24,25,26)(H,27,28,29);/q;+2/p-2


name: 4-(diphenylmethoxy)piperidinium chloride
cas: 65214-86-0
dtxsid: DTXSID00983824
formula: C18H21NO
inchikey: HXROHDYGZFFVMO-UHFFFAOYSA-N
norman_susdat_id: NS00056127
pubchem_cid: 3017584
smiles: [Cl-].O(C(C=1C=CC=CC1)C=2C=CC=CC2)C3CC[NH2+]CC3
inchi:
InChI=1/C18H21NO.ClH/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)20-17-11-13-19-14-12-17;/h1-10,17-19H,11-14H2;1H


cas: 6522-67-4
chemspiderid: 21172553
dtxsid: DTXSID9064398
formula: C21H23Br1N6O9
inchikey: ASPNMPVSOMVHRA-UHFFFAOYSA-N
norman_susdat_id: NS00035844
pubchem_cid: 81010
smiles: COCCOC(=O)CCNc1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
name:
.beta.-Alanine, N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-, 2-methoxyethyl ester

inchi:
InChI=1S/C21H23BrN6O9/c1-12(29)24-15-10-17(23-5-4-20(30)37-7-6-35-2)19(36-3)11-16(15)25-26-21-14(22)8-13(27(31)32)9-18(21)28(33)34/h8-11,23H,4-7H2,1-3H3,(H,24,29)/b26-25+


cas: 6522-74-3
chemspiderid: 7850392
dtxsid: DTXSID4064399
formula: C19H12Cl2N6O7S2
inchikey: PXAHDGWGMUDBSR-UHFFFAOYSA-N
norman_susdat_id: NS00021318
pubchem_cid: NA
smiles: OS(=O)(=O)c1ccccc1N/N=C/1C(=O)c2c(cc(Nc3nc(Cl)nc(Cl)n3)cc2)C=C1S(=O)(=O)O
name:
2-Naphthalenesulfonic acid, 7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-

inchi:
InChI=1S/C19H12Cl2N6O7S2/c20-17-23-18(21)25-19(24-17)22-10-5-6-11-9(7-10)8-14(36(32,33)34)15(16(11)28)27-26-12-3-1-2-4-13(12)35(29,30)31/h1-8,26H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25)/b27-15-


name: 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonic acid
cas: 6522-86-7
formula: C19H12Cl2N6O7S2
inchikey: ZJUUTHDAOGJGDU-UHFFFAOYSA-N
norman_susdat_id: NS00047375
pubchem_cid: 23020
smiles: O=S(=O)(O)C1=CC=2C=C(C(N=NC=3C=CC=CC3)=C(O)C2C(=C1)NC=4N=C(Cl)N=C(Cl)N4)S(=O)(=O)O
inchi:
InChI=1/C19H12Cl2N6O7S2/c20-17-23-18(21)25-19(24-17)22-12-8-11(35(29,30)31)6-9-7-13(36(32,33)34)15(16(28)14(9)12)27-26-10-4-2-1-3-5-10/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25)


name: Reactive Blue 19 parent
cas: 6522-88-9
chemspiderid: 16473
dtxsid: DTXSID7047011
formula: C22H18N2O11S3
inchikey: VGPIJNLQDSYRBZ-UHFFFAOYSA-N
norman_susdat_id: NS00009144
pubchem_cid: 17410
smiles: Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc2cccc(c2)S(=O)(=O)CCOS(O)(=O)=O)cc1S(O)(=O)=O
inchi:
InChI=1S/C22H18N2O11S3/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)36(27,28)9-8-35-38(32,33)34/h1-7,10-11,24H,8-9,23H2,(H,29,30,31)(H,32,33,34)


name: N,N-diethyl-N'-(6-methyl-5H-pyrido[3',4':4,5]pyrrolo[2,3-g]isoquinolin-10-yl)propane-1,3-diamine
cas: 65222-35-7
formula: C22H27N5
inchikey: LPHSYQSMAGVYNT-UHFFFAOYSA-N
norman_susdat_id: NS00056897
pubchem_cid: 68853
smiles: N1=CC=C2NC3=C(C=C4C(=NC=CC4=C3C)NCCCN(CC)CC)C2=C1
inchi:
InChI=1/C22H27N5/c1-4-27(5-2)12-6-9-24-22-18-13-17-19-14-23-10-8-20(19)26-21(17)15(3)16(18)7-11-25-22/h7-8,10-11,13-14,26H,4-6,9,12H2,1-3H3,(H,24,25)


name: Ammonium dihydrogen 4-sulphonatophthalate
cas: 65229-11-0
formula: C8H6O7S.H3N
inchikey: KOLYQQQBGYNKNZ-UHFFFAOYSA-L
norman_susdat_id: NS00088598
smiles: [NH4+].[O-]C(=O)c1ccc(cc1C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C8H6O7S.H3N/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);1H3/p-2


name: 9,10-Anthracenedione, 1,8-diamino-2-bromo-4,5-dihydroxy-
cas: 65235-63-4
chemspiderid: 43269
dtxsid: DTXSID0070285
formula: C14H9Br1N2O4
inchikey: SBSBBPZTTALABX-UHFFFAOYSA-N
norman_susdat_id: NS00035846
pubchem_cid: 47560
smiles: Nc1ccc(O)c2c1C(=O)c1c(c(O)cc(Br)c1N)C2=O
inchi:
InChI=1S/C14H9BrN2O4/c15-4-3-7(19)10-11(12(4)17)13(20)8-5(16)1-2-6(18)9(8)14(10)21/h1-3,18-19H,16-17H2


name: 9,10-Anthracenedione, 1,8-diamino-2,7-dibromo-4,5-dihydroxy-
cas: 65235-64-5
chemspiderid: 93310
dtxsid: DTXSID5070286
formula: C14H8Br2N2O4
inchikey: FNLWDOVWRPOCBS-UHFFFAOYSA-N
norman_susdat_id: NS00035847
pubchem_cid: 103336
smiles: Nc1c(Br)cc(O)c2c1C(=O)c1c(c(O)cc(Br)c1N)C2=O
inchi:
InChI=1S/C14H8Br2N2O4/c15-3-1-5(19)7-9(11(3)17)14(22)10-8(13(7)21)6(20)2-4(16)12(10)18/h1-2,19-20H,17-18H2


name: 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[(1-sulfo-2-naphthalenyl)azo]-
cas: 65237-05-0
chemspiderid: 5289132
dtxsid: DTXSID0070287
formula: C20H15N3O10S3
inchikey: AWWNMIDVRILOPQ-UHFFFAOYSA-N
norman_susdat_id: NS00035848
pubchem_cid: NA
smiles: Nc1cc(cc2c1C(=O)/C(=NNc1c(c3ccccc3cc1)S(=O)(=O)O)/C(=C2)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C20H15N3O10S3/c21-14-9-12(34(25,26)27)7-11-8-16(35(28,29)30)18(19(24)17(11)14)23-22-15-6-5-10-3-1-2-4-13(10)20(15)36(31,32)33/h1-9,22H,21H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)/b23-18-


name: 1-methylheptyl (S)-4-[4-(hexyloxy)benzoyl]benzoate
cas: 65242-72-0
dtxsid: DTXSID40983848
formula: C28H38O4
inchikey: ATPGHKPPEFHGKX-QFIPXVFZSA-N
norman_susdat_id: NS00056129
pubchem_cid: 6455081
smiles: O=C(OC(C)CCCCCC)C1=CC=C(C=C1)C(=O)C2=CC=C(OCCCCCC)C=C2
inchi:
InChI=1/C28H38O4/c1-4-6-8-10-12-22(3)32-28(30)25-15-13-23(14-16-25)27(29)24-17-19-26(20-18-24)31-21-11-9-7-5-2/h13-20,22H,4-12,21H2,1-3H3


name: Cefetamet pivoxil
cas: 65243-33-6
chebiid: CHEBI:135812
chemspiderid: 4588888
dtxsid: DTXSID40110016
formula: C20H25N5O7S2
inchikey: DASYMCLQENWCJG-XUKDPADISA-N
norman_susdat_id: NS00011578
pubchem_cid: 5486182
smiles: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=NOC)/c3csc(n3)N)SC1)C(=O)OCOC(=O)C(C)(C)C
inchi:
InChI=1S/C20H25N5O7S2/c1-9-6-33-16-12(23-14(26)11(24-30-5)10-7-34-19(21)22-10)15(27)25(16)13(9)17(28)31-8-32-18(29)20(2,3)4/h7,12,16H,6,8H2,1-5H3,(H2,21,22)(H,23,26)/b24-11-/t12-,16-/m1/s1


cas: 65244-18-0
dtxsid: DTXSID70983851
formula: C17H18ClN5O4
inchikey: LBQLWRPHYYZOOI-UHFFFAOYSA-N
norman_susdat_id: NS00056011
pubchem_cid: 6455084
smiles: O=C(OC)N1N(C(=O)OC)C2C1C3CC2C4N(N=NC43)C5=CC=C(Cl)C=C5
name:
Dimethyl 1-(p-chlorophenyl)-3a,4,4a,6a,7,7a-hexahydro-4,7-methano-1H-[1,2]diazeto[3,4-f]benzotriazole-5,6-dicarboxylate

inchi:
InChI=1/C17H18ClN5O4/c1-26-16(24)22-14-10-7-11(15(14)23(22)17(25)27-2)13-12(10)19-20-21(13)9-5-3-8(18)4-6-9/h3-6,10-15H,7H2,1-2H3


name: Arvenin I
cas: 65247-27-0
chemspiderid: 6441104
formula: C38H56O13
inchikey: PQOVWWZVVIGRPP-BBANTJNRSA-N
norman_susdat_id: NS00094076
pubchem_cid: 4945322
smiles:
CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)O)O


name: Arvenin II
cas: 65247-28-1
chemspiderid: 101306925
formula: C38H58O13
inchikey: KSENPDOZJGRJHR-GPWVBDSWSA-N
norman_susdat_id: NS00094077
smiles:
CC(=O)OC(C)(C)CCC(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C)O)O


name: Cocaine-d3
cas: 65266-73-1
chemspiderid: 17345103
dtxsid: DTXSID101016154
formula: C17H21NO4
inchikey: ZPUCINDJVBIVPJ-JTIQJQJFSA-N
norman_susdat_id: NS00101032
pubchem_cid: 16217586
smiles: [2H]C([2H])([2H])N1C2CCC1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC
inchi:
InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12?,13?,14-,15+/m0/s1/i1D3


name: Disodium 5-[(2,5-dichloro-4-sulphonatophenyl)azo]salicylate
cas: 6527-54-4
formula: C13H8Cl2N2O6S
inchikey: LJGATWRPRZTBOX-UHFFFAOYSA-L
norman_susdat_id: NS00047366
pubchem_cid: NA
smiles: [Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC(Cl)=C(C=C2Cl)S(=O)(=O)[O-])=CC=C1O
inchi:
InChI=1/C13H8Cl2N2O6S.2Na/c14-8-5-12(24(21,22)23)9(15)4-10(8)17-16-6-1-2-11(18)7(3-6)13(19)20;;/h1-5,18H,(H,19,20)(H,21,22,23);;/q;2*+1/p-2


name: Disodium 6,13-dichloro-3,10-bis(phenylamino)triphenodioxazine-2,9-disulphonate
cas: 6527-70-4
formula: C30H18Cl2N4O8S2.2Na
inchikey: LGEZEBMVCAZZPP-UHFFFAOYSA-L
norman_susdat_id: NS00082952
inchi:
InChI=1/C30H18Cl2N4O8S2.2Na/c31-25-28-30(44-22-12-20(34-16-9-5-2-6-10-16)24(46(40,41)42)14-18(22)36-28)26(32)27-29(25)43-21-11-19(33-15-7-3-1-4-8-15)23(45(37,38)39)13-17(21)35-27;;/h1-14,33-34H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].[O-]S(=O)(=O)c1cc2N=C3C(=C4Oc5cc(Nc6ccccc6)c(cc5N=C4C(=C3Oc2cc1Nc7ccccc7)Cl)S(=O)(=O)[O-])Cl


cas: 6527-75-9
dtxsid: DTXSID70983871
formula: C26H32N3
inchikey: IXWCEJQANYOPEE-UHFFFAOYSA-M
norman_susdat_id: NS00048005
pubchem_cid: 3014505
smiles: [Cl-].C=1C=C(C=CC1C(=C2C=CC(C=C2)=[N+](C)C)C3=CC=C(C=C3C)N(C)C)N(C)C
name:
[4-[[4-(dimethylamino)-o-tolyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride

inchi:
InChI=1/C26H32N3.ClH/c1-19-18-24(29(6)7)16-17-25(19)26(20-8-12-22(13-9-20)27(2)3)21-10-14-23(15-11-21)28(4)5;/h8-18H,1-7H3;1H/q+1;/p-1


name: Dihexadecyl (R(R*,R*))-tartrate
cas: 65270-95-3
chemspiderid: 4957368
dtxsid: DTXSID10215587
formula: C36H70O6
inchikey: XBFGJARWBHKWFU-KKLWWLSJSA-N
norman_susdat_id: NS00035853
pubchem_cid: 6455088
smiles: CCCCCCCCCCCCCCCCOC(=O)[C@H](O)[C@@H](O)C(=O)OCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C36H70O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-41-35(39)33(37)34(38)36(40)42-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38H,3-32H2,1-2H3/t33-,34-/m1/s1


name: Tetrasodium 4,5-dihydroxy-3,6-bis[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate
cas: 65271-28-5
formula: C24H20N4O14S4.4Na
inchikey: VQOGZWSJYAHWJQ-UHFFFAOYSA-J
norman_susdat_id: NS00087951
inchi:
InChI=1/C24H20N4O14S4.4Na/c1-11-3-5-14(16(7-11)43(31,32)33)25-27-21-18(45(37,38)39)9-13-10-19(46(40,41)42)22(24(30)20(13)23(21)29)28-26-15-6-4-12(2)8-17(15)44(34,35)36;;;;/h3-10,29-30H,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c4cc(C)ccc4N=Nc1c(O)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccc(C)cc2S([O-])(=O)=O)c3O)S([O-])(=O)=O


name: Mitoxantrone
cas: 65271-80-9
chebiid: CHEBI:50729
chemspiderid: 4067
dtxsid: DTXSID4046947
formula: C22H28N4O6
inchikey: KKZJGLLVHKMTCM-UHFFFAOYSA-N
norman_susdat_id: NS00008439
pubchem_cid: 4212
smiles: OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
inchi:
InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2


name: 1-Amino-4-((3-(dimethylamino)propyl)amino)anthraquinone
cas: 65274-31-9
chemspiderid: 4957372
dtxsid: DTXSID80215599
formula: C19H21N3O2
inchikey: HSUXHVCSOLJVDP-UHFFFAOYSA-N
norman_susdat_id: NS00035854
pubchem_cid: 6455094
smiles: CN(C)CCCNc1c2C(=O)c3c(cccc3)C(=O)c2c(N)cc1
inchi:
InChI=1S/C19H21N3O2/c1-22(2)11-5-10-21-15-9-8-14(20)16-17(15)19(24)13-7-4-3-6-12(13)18(16)23/h3-4,6-9,21H,5,10-11,20H2,1-2H3


name: Ketoconazole
cas: 65277-42-1
chebiid: CHEBI:48336
chemspiderid: 401695
dtxsid: DTXSID7029879
formula: C26H28Cl2N4O4
inchikey: XMAYWYJOQHXEEK-OZXSUGGESA-N
norman_susdat_id: NS00010890
pubchem_cid: 456201
smiles: CC(=O)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1
inchi:
InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1


name: Disodium 1-[2-[(1-oxoundec-10-enyl)amino]ethyl] 2-sulphonatosuccinate
cas: 65277-52-3
dtxsid: DTXSID20983886
formula: C17H29NO8S
inchikey: HQWDESXVUSWTPT-UHFFFAOYSA-L
norman_susdat_id: NS00056902
pubchem_cid: 174097
smiles: [Na+].[Na+].O=C([O-])CC(C(=O)OCCNC(=O)CCCCCCCCC=C)S(=O)(=O)[O-]
inchi:
InChI=1/C17H29NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-15(19)18-11-12-26-17(22)14(13-16(20)21)27(23,24)25;;/h2,14H,1,3-13H2,(H,18,19)(H,20,21)(H,23,24,25);;/q;2*+1/p-2


name: TRILAURYL CITRATE
cas: 65277-53-4
chemspiderid: 2285286
formula: C42H80O7
inchikey: UYERRXOXXRNFHC-UHFFFAOYSA-N
norman_susdat_id: NS00014178
pubchem_cid: 3017589
smiles: CCCCCCCCCCCCOC(=O)CC(O)(CC(=O)OCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCC
inchi:
InChI=1S/C42H80O7/c1-4-7-10-13-16-19-22-25-28-31-34-47-39(43)37-42(46,41(45)49-36-33-30-27-24-21-18-15-12-9-6-3)38-40(44)48-35-32-29-26-23-20-17-14-11-8-5-2/h46H,4-38H2,1-3H3


name: DISODIUM RICINOLEA- MIDO MEA-SULFOSUCCI- NATE
cas: 65277-54-5
chemspiderid: 4941580
formula: C24H43N1O9S1
inchikey: YBYOIQCGTWMYTQ-FMIVXFBMSA-N
norman_susdat_id: NS00013629
pubchem_cid: 6436985
smiles: [Na+].[Na+].CCCCCCC(O)CC=CCCCCCCCC(=O)NCCOC(=O)C(CC([O-])=O)[S]([O-])(=O)=O
inchi:
InChI=1S/C24H43NO9S.2Na/c1-2-3-4-11-14-20(26)15-12-9-7-5-6-8-10-13-16-22(27)25-17-18-34-24(30)21(19-23(28)29)35(31,32)33;;/h9,12,20-21,26H,2-8,10-11,13-19H2,1H3,(H,25,27)(H,28,29)(H,31,32,33);;/q;2*+1/p-2/b12-9+;;


name: DISODIUM STEARYL SUL- FOSUCCINATE
cas: 65277-59-0
chemspiderid: 10143927
formula: C22H42O7S1
inchikey: ZZFUNQUTHVLHBV-UHFFFAOYSA-N
norman_susdat_id: NS00013633
pubchem_cid: 11970544
smiles: [Na+].[Na+].CCCCCCCCCCCCCCCCCCOC(=O)C(CC([O-])=O)[S]([O-])(=O)=O
inchi:
InChI=1S/C22H42O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;;/h20H,2-19H2,1H3,(H,23,24)(H,26,27,28);;/q;2*+1/p-2


name: Pigment Yellow 65
cas: 6528-34-3
chemspiderid: 99538
dtxsid: DTXSID0052336
formula: C18H18N4O6
inchikey: UFORAEIAYCSGCR-UHFFFAOYSA-N
norman_susdat_id: NS00003477
pubchem_cid: 110892
smiles: COc1ccc(N=NC(C(C)=O)C(=O)Nc2ccccc2OC)c(c1)[N+]([O-])=O
inchi:
InChI=1S/C18H18N4O6/c1-11(23)17(18(24)19-14-6-4-5-7-16(14)28-3)21-20-13-9-8-12(27-2)10-15(13)22(25)26/h4-10,17H,1-3H3,(H,19,24)


cas: 6528-35-4
formula: C38H38Cl2N6O6
inchikey: KRPQDDJZFZZVMZ-UHFFFAOYSA-N
norman_susdat_id: NS00047376
pubchem_cid: 110893
name:
2,2'-[(2,2'-dichloro-5,5'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2,4-dimethylphenyl)-3-oxobutyramide]

inchi:
InChI=1/C38H38Cl2N6O6/c1-19-9-11-29(21(3)13-19)41-37(49)35(23(5)47)45-43-31-17-27(39)25(15-33(31)51-7)26-16-34(52-8)32(18-28(26)40)44-46-36(24(6)48)38(50)42-30-12-10-20(2)14-22(30)4/h9-18,35-36H,1-8H3,(H,41,49)(H,42,50)

smiles:
O=C(NC1=CC=C(C=C1C)C)C(N=NC=2C=C(Cl)C(=CC2OC)C=3C=C(OC)C(N=NC(C(=O)NC4=CC=C(C=C4C)C)C(=O)C)=CC3Cl)C(=O)C


name: 4-((2,4-Dichlorobenzoyl)amino)-5-hydroxynaphthalene-1,7-disulphonic acid
cas: 6528-49-0
chemspiderid: 73092
dtxsid: DTXSID30215620
formula: C17H11Cl2N1O8S2
inchikey: JHXRWWCYQHFYAN-UHFFFAOYSA-N
norman_susdat_id: NS00035856
pubchem_cid: 81016
smiles: Oc1c2c(NC(=O)c3c(Cl)cc(Cl)cc3)ccc(c2cc(c1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C17H11Cl2NO8S2/c18-8-1-2-10(12(19)5-8)17(22)20-13-3-4-15(30(26,27)28)11-6-9(29(23,24)25)7-14(21)16(11)13/h1-7,21H,(H,20,22)(H,23,24,25)(H,26,27,28)


name: 1,3,6,8-Pyrenetetrasulfonic acid
cas: 6528-53-6
chemspiderid: 73093
dtxsid: DTXSID5044310
formula: C16H10O12S4
inchikey: CZLSHVQVNDDHDQ-UHFFFAOYSA-N
norman_susdat_id: NS00035857
pubchem_cid: 81017
smiles: [O-]S(=O)(=O)c1cc(c2ccc3c(cc(c4ccc1c2c34)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1S/C16H10O12S4/c17-29(18,19)11-5-13(31(23,24)25)9-3-4-10-14(32(26,27)28)6-12(30(20,21)22)8-2-1-7(11)15(9)16(8)10/h1-6H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)


name: Hexabutyl 2,2',2''-[(butylstannylidyne)tris(thio)]trisuccinate
cas: 65291-39-6
formula: C40H72O12S3Sn
inchikey: VVDYYHAMBNQVRC-UHFFFAOYSA-K
norman_susdat_id: NS00056917
pubchem_cid: NA
smiles: O=C(OCCCC)CC(S[Sn](SC(C(=O)OCCCC)CC(=O)OCCCC)(SC(C(=O)OCCCC)CC(=O)OCCCC)CCCC)C(=O)OCCCC
inchi:
InChI=1/3C12H22O4S.C4H9.Sn/c3*1-3-5-7-15-11(13)9-10(17)12(14)16-8-6-4-2;1-3-4-2;/h3*10,17H,3-9H2,1-2H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC40H72O12S3Sn/c1-8-15-22-47-35(41)29-32(38(44)50-25-18-11-4)53-56(28-21-14-7,54-33(39(45)51-26-19-12-5)30-36(42)48-23-16-9-2)55-34(40(46)52-27-20-13-6)31-37(43)49-24-17-10-3/h32-34H,8-31H2,1-7H3


cas: 65293-90-5
dtxsid: DTXSID50886755
formula: C47H56Cl4N6O6
inchikey: XCUBBBXGENOKTJ-UHFFFAOYSA-N
norman_susdat_id: NS00055592
pubchem_cid: NA
name:
2-(3-tert-butyl-4-hydroxyphenoxy)-N-[4-chloro-3-[[4-[(3,4-dimethoxyphenyl)azo]-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]myristamide

inchi:
InChI=1/C47H56Cl4N6O6/c1-7-8-9-10-11-12-13-14-15-16-17-40(63-32-20-22-38(58)33(28-32)47(2,3)4)45(59)52-30-18-21-34(49)37(26-30)53-44-42(55-54-31-19-23-39(61-5)41(27-31)62-6)46(60)57(56-44)43-35(50)24-29(48)25-36(43)51/h18-28,40,42,58H,7-17H2,1-6H3,(H,52,59)(H,53,56)

smiles:
O=C(NC1=CC=C(Cl)C(=C1)NC2=NN(C(=O)C2N=NC3=CC=C(OC)C(OC)=C3)C=4C(Cl)=CC(Cl)=CC4Cl)C(OC5=CC=C(O)C(=C5)C(C)(C)C)CCCCCCCCCCCC


name: Tridecyl dihydrogen phosphate, compound with N,N-dimethylcyclohexylamine (1:1)
cas: 65294-13-5
formula: C13H29O4P.C8H17N
inchikey: LPISHKVJKLLTGW-UHFFFAOYSA-N
norman_susdat_id: NS00088170
smiles: CN(C)C1CCCCC1.OP(=O)(O)OCCCCCCCCCCCCC
inchi:
InChI=1/C13H29O4P.C8H17N/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;1-9(2)8-6-4-3-5-7-8/h2-13H2,1H3,(H2,14,15,16);8H,3-7H2,1-2H3


name: Tridecyl dihydrogen phosphate, compound with N,N-dimethylcyclohexylamine (1:2)
cas: 65294-14-6
formula: C13H29O4P.2C8H17N
inchikey: SZBANGWZYNGULC-UHFFFAOYSA-N
norman_susdat_id: NS00087965
smiles: CCCCCCCCCCCCCOP(=O)(O)O.CN(C)C1CCCCC1.CN(C)C2CCCCC2
inchi:
InChI=1/C13H29O4P.2C8H17N/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;2*1-9(2)8-6-4-3-5-7-8/h2-13H2,1H3,(H2,14,15,16);2*8H,3-7H2,1-2H3


name: Cyclohexyl(dimethyl)ammonium ditridecyl phosphate
cas: 65294-15-7
formula: C26H55O4P.C8H17N
inchikey: POVOPAWXFOXVAF-UHFFFAOYSA-N
norman_susdat_id: NS00087966
smiles: CCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCC.C[NH+](C)C1CCCCC1
inchi:
InChI=1/C26H55O4P.C8H17N/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-31(27,28)30-26-24-22-20-18-16-14-12-10-8-6-4-2;1-9(2)8-6-4-3-5-7-8/h3-26H2,1-2H3,(H,27,28);8H,3-7H2,1-2H3


name: Perfluoro-(2,5,8-trimethyl-3,6,9-trioxadodecanoic)acid
cas: 65294-16-8
dtxsid: DTXSID70276659
formula: C12HF23O5
inchikey: HPNULWLLEOKCID-UHFFFAOYSA-N
norman_susdat_id: NS00111207
smiles: OC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C12HF23O5/c13-2(1(36)37,6(18,19)20)38-11(32,33)4(16,8(24,25)26)40-12(34,35)5(17,9(27,28)29)39-10(30,31)3(14,15)7(21,22)23/h(H,36,37)


name: 1,1'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene]
cas: 65294-20-4
dtxsid: DTXSID6070302
formula: C19H18F6
inchikey: GLFKFHJEFMLTOB-UHFFFAOYSA-N
norman_susdat_id: NS00056174
pubchem_cid: 103356
smiles: FC(F)(F)C(C1=CC=C(C(=C1)C)C)(C2=CC=C(C(=C2)C)C)C(F)(F)F
inchi:
InChI=1/C19H18F6/c1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3


name: Butaperazine
cas: 653-03-2
chebiid: CHEBI:135663
chemspiderid: 12078
dtxsid: DTXSID1022712
formula: C24H31N3O1S1
inchikey: DVLBYTMYSMAKHP-UHFFFAOYSA-N
norman_susdat_id: NS00004549
pubchem_cid: 12598
smiles: CCCC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1
inchi:
InChI=1S/C24H31N3OS/c1-3-7-22(28)19-10-11-24-21(18-19)27(20-8-4-5-9-23(20)29-24)13-6-12-26-16-14-25(2)15-17-26/h4-5,8-11,18H,3,6-7,12-17H2,1-2H3


name: 2'-deoxyadenosine 5'-(dihydrogen phosphate)
cas: 653-63-4
formula: C10H14N5O6P
inchikey: KHWCHTKSEGGWEX-UHFFFAOYSA-N
norman_susdat_id: NS00079460
smiles: Nc1ncnc2c1ncn2C3CC(O)C(COP(=O)(O)O)O3
inchi:
InChI=1/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)


name: Dodecyl 4,4-didodecyl-7-oxo-8-oxa-3,5-dithia-4-stannaicosanoate
cas: 65301-38-4
dtxsid: DTXSID70215649
formula: C52H104O4S2Sn
inchikey: RCSXDSFZCXFKPY-UHFFFAOYSA-L
norman_susdat_id: NS00056064
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/2C14H28O2S.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*17H,2-13H2,1H3;2*1,3-12H2,2H3;/q;;;;+2/p-2/rC52H104O4S2Sn/c1-5-9-13-17-21-25-29-33-37-41-45-55-51(53)49-57-59(47-43-39-35-31-27-23-19-15-11-7-3,48-44-40-36-32-28-24-20-16-12-8-4)58-50-52(54)56-46-42-38-34-30-26-22-18-14-10-6-2/h5-50H2,1-4H3


name: Decyl-N-(8-quinolyl)-p-toluenesulphonamide
cas: 65307-72-4
dtxsid: DTXSID4095427
formula: C26H34N2O2S
inchikey: BHTRHIZWYGPNBA-UHFFFAOYSA-N
norman_susdat_id: NS00056065
pubchem_cid: NA
smiles: O=S(=O)(NC1=CC=CC2=CC=CN=C21)C3=CC=C(C=C3CCCCCCCCCC)C
inchi:
InChI=1/C26H34N2O2S/c1-3-4-5-6-7-8-9-10-13-23-20-21(2)17-18-25(23)31(29,30)28-24-16-11-14-22-15-12-19-27-26(22)24/h11-12,14-20,28H,3-10,13H2,1-2H3


name: Sodium acetoxyoctadecenyl sulphate
cas: 65309-59-3
formula: C20H38O6S
inchikey: LHYFNLHABZUDCQ-UHFFFAOYSA-M
norman_susdat_id: NS00056175
pubchem_cid: NA
smiles: [Na+].O=C(OC(OS(=O)(=O)[O-])=CCCCCCCCCCCCCCCCC)C
inchi:
InChI=1/C20H38O6S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(25-19(2)21)26-27(22,23)24;/h18H,3-17H2,1-2H3,(H,22,23,24);/q;+1/p-1


name: Sodium 1-acetoxyhexadecenol sulphate
cas: 65309-61-7
dtxsid: DTXSID4095429
formula: C18H34O6S
inchikey: OAPDHAGSVQRBCR-UHFFFAOYSA-M
norman_susdat_id: NS00056176
pubchem_cid: NA
smiles: [Na+].O=C(OC(OS(=O)(=O)[O-])=CCCCCCCCCCCCCCC)C
inchi:
InChI=1/C18H34O6S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(23-17(2)19)24-25(20,21)22;/h16H,3-15H2,1-2H3,(H,20,21,22);/q;+1/p-1


name: 9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
cas: 65316-65-6
formula: C20H24O3
inchikey: CAAFTBWHFUPDGX-OFCLTBKTSA-N
norman_susdat_id: NS00072026
pubchem_cid: 6438583
smiles: CC(/C=C/c1c(C)cc(O)c(C)c1C)=CC=CC(C)=CC(=O)O
inchi:
InChI=1S/C20H24O3/c1-13(7-6-8-14(2)11-20(22)23)9-10-18-15(3)12-19(21)17(5)16(18)4/h6-12,21H,1-5H3,(H,22,23)/b8-6+,10-9+,13-7+,14-11+


name: Norgestrel
cas: 6533-00-2
chebiid: CHEBI:6443
dtxsid: DTXSID3047477
formula: C21H28O2
inchikey: WWYNJERNGUHSAO-XUDSTZEESA-N
norman_susdat_id: NS00067059
smiles: [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
inchi:
InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/s2


cas: 65339-11-9
dtxsid: DTXSID80886329
formula: C41H51Cl3N4O4
inchikey: DLVYTBVBYGPNNB-UHFFFAOYSA-N
norman_susdat_id: NS00055636
pubchem_cid: 103362
smiles: O=C(NC1=NN(C(=O)C1)C=2C(Cl)=CC(Cl)=CC2Cl)C=3C=CC=C(C3)NC(=O)C(OC4=CC=CC(=C4)CCCCCCCCCCCCCCC)CC
name:
N-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-3-[[1-oxo-2-(3-pentadecylphenoxy)butyl]amino]benzamide

inchi:
InChI=1/C41H51Cl3N4O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-29-20-17-23-33(24-29)52-36(4-2)41(51)45-32-22-18-21-30(25-32)40(50)46-37-28-38(49)48(47-37)39-34(43)26-31(42)27-35(39)44/h17-18,20-27,36H,3-16,19,28H2,1-2H3,(H,45,51)(H,46,47,50)


name: Acetamide, N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bis-
cas: 6534-28-7
chemspiderid: 21554
dtxsid: DTXSID20215674
formula: C18H14N2O4
inchikey: KPHHXNVVLVNAMV-UHFFFAOYSA-N
norman_susdat_id: NS00035862
pubchem_cid: 23032
smiles: CC(=O)Nc1c2C(=O)c3c(cccc3)C(=O)c2c(NC(=O)C)cc1
inchi:
InChI=1S/C18H14N2O4/c1-9(21)19-13-7-8-14(20-10(2)22)16-15(13)17(23)11-5-3-4-6-12(11)18(16)24/h3-8H,1-2H3,(H,19,21)(H,20,22)


name: Diethyl 2,2'-[(2,2,4-trimethylhexane-1,6-diyl)bis(iminocarbonyl)]diacetoacetate
cas: 65345-00-8
dtxsid: DTXSID20983967
formula: C23H38N2O8
inchikey: DZZVAZUMCSLYLL-UHFFFAOYSA-N
norman_susdat_id: NS00056975
pubchem_cid: 6455114
smiles: O=C(OCC)C(C(=O)NCCC(C)CC(C)(C)CNC(=O)C(C(=O)OCC)C(=O)C)C(=O)C
inchi:
InChI=1/C23H38N2O8/c1-8-32-21(30)17(15(4)26)19(28)24-11-10-14(3)12-23(6,7)13-25-20(29)18(16(5)27)22(31)33-9-2/h14,17-18H,8-13H2,1-7H3,(H,24,28)(H,25,29)


name: Sodium 5,5,6,6,7,7,8,8,8-nonafluorooctane-1-sulfonate
cas: 65345-91-7
dtxsid: DTXSID60896628
formula: C8H8F9NaO3S
inchikey: VBSIKBLJSKBZIJ-UHFFFAOYSA-M
norman_susdat_id: NS00111145
smiles: [Na+].[O-]S(=O)(=O)CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8H9F9O3S.Na/c9-5(10,3-1-2-4-21(18,19)20)6(11,12)7(13,14)8(15,16)17;/h1-4H2,(H,18,19,20);/q;+1/p-1


name: 1-Naphthalenol, 4-[(4-ethoxyphenyl)azo]-
cas: 6535-42-8
dtxsid: DTXSID6064402
formula: C18H16N2O2
inchikey: JSEYDVLGSMLKDL-UHFFFAOYSA-N
norman_susdat_id: NS00047444
pubchem_cid: 81021
smiles: OC1=CC=C(N=NC2=CC=C(OCC)C=C2)C=3C=CC=CC13
inchi:
InChI=1/C18H16N2O2/c1-2-22-14-9-7-13(8-10-14)19-20-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12,21H,2H2,1H3


name: 3-hydroxy-N-(o-tolyl)-4-[(2,4,5-trichlorophenyl)azo]naphthalene-2-carboxamide
cas: 6535-46-2
dtxsid: DTXSID1064403
formula: C24H16Cl3N3O2
inchikey: JQNJCQYNSLCFAC-UHFFFAOYSA-N
norman_susdat_id: NS00047445
pubchem_cid: 23034
smiles: O=C(NC=1C=CC=CC1C)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=C(Cl)C=C4Cl)=C2O
inchi:
InChI=1/C24H16Cl3N3O2/c1-13-6-2-5-9-20(13)28-24(32)16-10-14-7-3-4-8-15(14)22(23(16)31)30-29-21-12-18(26)17(25)11-19(21)27/h2-12,31H,1H3,(H,28,32)


name: 2-Naphthalenecarboxamide, 3-hydroxy-4-[(4-methyl-2-nitrophenyl)azo]-N-(2-methylphenyl)-
cas: 6535-47-3
chemspiderid: 7850394
dtxsid: DTXSID6064404
formula: C25H20N4O4
inchikey: ZULWYEUQOYBFOW-UHFFFAOYSA-N
norman_susdat_id: NS00019835
pubchem_cid: NA
smiles: Cc1cc(c(N/N=C/2C(=O)C(=Cc3ccccc23)C(=O)Nc2ccccc2C)cc1)[N+](=O)[O-]
inchi:
InChI=1S/C25H20N4O4/c1-15-11-12-21(22(13-15)29(32)33)27-28-23-18-9-5-4-8-17(18)14-19(24(23)30)25(31)26-20-10-6-3-7-16(20)2/h3-14,27H,1-2H3,(H,26,31)/b28-23-


name: 2-Naphthalenecarboxamide, N-(5-chloro-2-methylphenyl)-4-[(5-chloro-2-methylphenyl)azo]-3-hydroxy-
cas: 6535-48-4
dtxsid: DTXSID1064405
formula: C25H19Cl2N3O2
inchikey: QXBPSANXMNTNKH-UHFFFAOYSA-N
norman_susdat_id: NS00047447
pubchem_cid: 81023
smiles: O=C(NC1=CC(Cl)=CC=C1C)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=CC=C4C)=C2O
inchi:
InChI=1/C25H19Cl2N3O2/c1-14-7-9-17(26)12-21(14)28-25(32)20-11-16-5-3-4-6-19(16)23(24(20)31)30-29-22-13-18(27)10-8-15(22)2/h3-13,31H,1-2H3,(H,28,32)


name: 2-amino-5-hydroxynaphthalene-1,7-disulphonic acid
cas: 6535-70-2
dtxsid: DTXSID50983970
formula: C10H9NO7S2
inchikey: HIVUAOXLSJITPA-UHFFFAOYSA-N
norman_susdat_id: NS00046183
pubchem_cid: 81024
smiles: O=S(=O)(O)C1=CC(O)=C2C=CC(N)=C(C2=C1)S(=O)(=O)O
inchi:
InChI=1/C10H9NO7S2/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)


name: 5-Hydroxy-4-(((6-hydroxy-2-naphthyl)sulphonyl)amino)naphthalene-1,7-disulphonic acid
cas: 6535-71-3
chemspiderid: 73098
dtxsid: DTXSID50215682
formula: C20H15N1O10S3
inchikey: GOSKXOUVLIDYTF-UHFFFAOYSA-N
norman_susdat_id: NS00035866
pubchem_cid: 81025
smiles: Oc1cc2c(cc1)cc(cc2)S(=O)(=O)Nc1ccc(c2c1c(O)cc(c2)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C20H15NO10S3/c22-13-3-1-12-8-14(4-2-11(12)7-13)32(24,25)21-17-5-6-19(34(29,30)31)16-9-15(33(26,27)28)10-18(23)20(16)17/h1-10,21-23H,(H,26,27,28)(H,29,30,31)


name: (2R-trans)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3-methoxy-2H-1-benzopyran-5,7-diol
cas: 65350-86-9
formula: C16H16O6
inchikey: PDHSAQOQVUXZGQ-JKSUJKDBSA-N
norman_susdat_id: NS00056178
pubchem_cid: 10380295
smiles: OC=1C=C(O)C2=C(OC(C3=CC=C(O)C(O)=C3)C(OC)C2)C1
inchi:
InChI=1/C16H16O6/c1-21-15-7-10-12(19)5-9(17)6-14(10)22-16(15)8-2-3-11(18)13(20)4-8/h2-6,15-20H,7H2,1H3


name: [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-propyl-, (trans,trans)-
cas: 65355-35-3
chemspiderid: 93332
dtxsid: DTXSID1070305
formula: C16H27N1
inchikey: GPKWICXATIXXQY-UHFFFAOYSA-N
norman_susdat_id: NS00035863
pubchem_cid: 103365
smiles: CCCC1CCC(CC1)C1CCC(CC1)C#N
inchi:
InChI=1S/C16H27N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h13-16H,2-11H2,1H3/t13-,14-,15+,16-


name: [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-pentyl-, (trans,trans)-
cas: 65355-36-4
chemspiderid: 93333
dtxsid: DTXSID6070306
formula: C18H31N1
inchikey: HWMHRQOJZXBQBL-UHFFFAOYSA-N
norman_susdat_id: NS00035864
pubchem_cid: 103366
smiles: CCCCCC1CCC(CC1)C1CCC(CC1)C#N
inchi:
InChI=1S/C18H31N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h15-18H,2-13H2,1H3/t15-,16-,17+,18-


name: [1,1'-Bicyclohexyl]-4-carbonitrile, 4'-heptyl-, (trans,trans)-
cas: 65355-37-5
chemspiderid: 93334
dtxsid: DTXSID1070307
formula: C20H35N1
inchikey: VNMUQCJCURWNKC-UHFFFAOYSA-N
norman_susdat_id: NS00035865
pubchem_cid: 103367
smiles: CCCCCCCC1CCC(CC1)C1CCC(CC1)C#N
inchi:
InChI=1S/C20H35N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h17-20H,2-15H2,1H3/t17-,18-,19-,20+


name: 7-Oxo-7H-benzo(e)perimidine-4-carboxylic acid
cas: 65359-16-2
chemspiderid: 65461
dtxsid: DTXSID90215686
formula: C16H24N2O3
inchikey: NARZOZMHJMTCGC-UHFFFAOYSA-N
norman_susdat_id: NS00035867
pubchem_cid: 72574
smiles: OC(=O)c1ccc2C(=O)c3ccccc3c3c2c1ncn3
inchi:
InChI=1S/C16H24N2O3/c19-15-9-4-2-1-3-8(9)13-12-10(15)5-6-11(16(20)21)14(12)18-7-17-13/h8-14,17-18H,1-7H2,(H,20,21)/t8-,9-,10+,11+,12-,13-,14+/m1/s1


name: 1-({4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol
cas: 653592-04-2
formula: C13H19N5OS
inchikey: NTHMDFGHOCNNOE-ZJUUUORDSA-N
norman_susdat_id: NS00070521
pubchem_cid: 656970
smiles: CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O
inchi:
InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1


name: morazone
cas: 6536-18-1
chebiid: CHEBI:135584
chemspiderid: 36216
formula: C23H27N3O2
inchikey: OOGNFQMTGRZRAB-UHFFFAOYSA-N
norman_susdat_id: NS00004633
pubchem_cid: 39609
smiles: CC1C(OCCN1Cc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1
inchi:
InChI=1S/C23H27N3O2/c1-17-21(23(27)26(24(17)3)20-12-8-5-9-13-20)16-25-14-15-28-22(18(25)2)19-10-6-4-7-11-19/h4-13,18,22H,14-16H2,1-3H3


name: Bis[9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium] tetraoxomolybdate(2-)
cas: 65366-87-2
formula: C28H31N2O3.1/2MoO4
inchikey: CQSLIXJDDDZCDR-UHFFFAOYSA-N
norman_susdat_id: NS00088642
inchi:
InChI=1/2C28H31N2O3.Mo.4O/c2*1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;;;;;/h2*9-16,29-30H,6-8H2,1-5H3;;;;;/q2*+1;-2;;;;/r2C28H31N2O3.MoO4/c2*1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;2-1(3,4)5/h2*9-16,29-30H,6-8H2,1-5H3;/q2*+1;-2

smiles:
CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C.CCNc5cc6[o+]c7cc(NCC)c(C)cc7c(c8ccccc8C(=O)OCC)c6cc5C.O=[Mo-2](=O)(=O)=O


name: Benzamide, N-[3-[(2-hydroxyethyl)sulfonyl]phenyl]-4-nitro-
cas: 65369-95-1
chemspiderid: 93337
dtxsid: DTXSID0070310
formula: C15H14N2O6S1
inchikey: QJFXNNDXHRPNFO-UHFFFAOYSA-N
norman_susdat_id: NS00035868
pubchem_cid: 103370
smiles: OCCS(=O)(=O)c1cc(NC(=O)c2ccc(cc2)[N+](=O)[O-])ccc1
inchi:
InChI=1S/C15H14N2O6S/c18-8-9-24(22,23)14-3-1-2-12(10-14)16-15(19)11-4-6-13(7-5-11)17(20)21/h1-7,10,18H,8-9H2,(H,16,19)


name: Disodium 2',2'''-(azodi-4,1-phenylene)bis[6-methyl[2,6'-bibenzothiazole]-7-sulphonate]
cas: 6537-66-2
formula: C42H26N6O6S6.2Na
inchikey: IAPWLZNOTXULLS-UHFFFAOYSA-L
norman_susdat_id: NS00082287
inchi:
InChI=1/C42H26N6O6S6.2Na/c1-21-3-15-30-35(37(21)59(49,50)51)57-41(44-30)25-10-18-33-32(19-25)46-40(55-33)24-7-13-28(14-8-24)48-47-27-11-5-23(6-12-27)39-43-29-17-9-26(20-34(29)56-39)42-45-31-16-4-22(2)38(36(31)58-42)60(52,53)54;;/h3-20H,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2/rC42H24N6Na2O6S6/c1-21-3-15-30-35(37(21)61(51,52)55-49)59-41(44-30)25-10-18-33-32(19-25)46-40(57-33)24-7-13-28(14-8-24)48-47-27-11-5-23(6-12-27)39-43-29-17-9-26(20-34(29)58-39)42-45-31-16-4-22(2)38(36(31)60-42)62(53,54)56-50/h3-20H,1-2H3

smiles:
Cc1ccc2nc(sc2c1S(=O)(=O)O[Na])c3ccc4sc(nc4c3)c5ccc(cc5)N=Nc6ccc(cc6)c7nc8ccc(cc8s7)c9nc%10ccc(C)c(c%10s9)S(=O)(=O)O[Na]


name: 2,4,6,8-Tetranitro-2,4,6,8-tetraazanonane-1,9-diyl diacetate
cas: 6537-83-3
chemspiderid: 73101
dtxsid: DTXSID80215690
formula: C9H16N8O12
inchikey: LDBSGTRAQJIAIE-UHFFFAOYSA-N
norman_susdat_id: NS00035869
pubchem_cid: 81028
smiles: CC(=O)OCN(CN(CN(CN(COC(=O)C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C9H16N8O12/c1-8(18)28-6-12(16(24)25)4-10(14(20)21)3-11(15(22)23)5-13(17(26)27)7-29-9(2)19/h3-7H2,1-2H3


name: N-icosylacrylamide
cas: 65379-34-2
dtxsid: DTXSID90983994
formula: C23H45NO
inchikey: CJKAINXGZTZFDV-UHFFFAOYSA-N
norman_susdat_id: NS00056180
pubchem_cid: 3017598
smiles: O=C(C=C)NCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23(25)4-2/h4H,2-3,5-22H2,1H3,(H,24,25)


name: Decanoic acid, ester with 1,2,3-propanetriol octanoate
cas: 65381-09-1
dtxsid: DTXSID8028268
formula: C21H40O5
inchikey: YOYOQXRPUDEPAK-UHFFFAOYSA-N
norman_susdat_id: NS00056181
pubchem_cid: 19026760
smiles: O=C(OCC(OC(=O)CCCCCCCCC)CO)CCCCCCC
inchi:
InChI=1/C21H40O5/c1-3-5-7-9-10-12-14-16-21(24)26-19(17-22)18-25-20(23)15-13-11-8-6-4-2/h19,22H,3-18H2,1-2H3


cas: 6539-67-9
chemspiderid: 71037
dtxsid: DTXSID1064407
formula: C21H17Cl1N8O7S2
inchikey: ASDREVVGQFYRTH-UHFFFAOYSA-N
norman_susdat_id: NS00021320
pubchem_cid: 78686
smiles: CC(=O)Nc1cc(Nc2nc(Cl)nc(N)n2)ccc1N=Nc1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O
name:
1,5-Naphthalenedisulfonic acid, 3-[[2-(acetylamino)-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-

inchi:
InChI=1S/C21H17ClN8O7S2/c1-10(31)24-16-8-11(25-21-27-19(22)26-20(23)28-21)5-6-15(16)30-29-12-7-14-13(18(9-12)39(35,36)37)3-2-4-17(14)38(32,33)34/h2-9H,1H3,(H,24,31)(H,32,33,34)(H,35,36,37)(H3,23,25,26,27,28)/b30-29+


name: 2,4-Disulfamyl-5-trifluoromethylaniline
cas: 654-62-6
chemspiderid: 62765
dtxsid: DTXSID20215710
formula: C7H8F3N3O4S2
inchikey: KRVABEGPNKGLOT-UHFFFAOYSA-N
norman_susdat_id: NS00020688
pubchem_cid: 69561
smiles: Nc1c(cc(c(c1)C(F)(F)F)S(=O)(=O)N)S(=O)(=O)N
inchi:
InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)


name: 2,3-bis[(3,7,11,15-tetramethylhexadecyl)oxy]propan-1-ol
cas: 6540-63-2
chebiid: CHEBI:34227
dtxsid: DTXSID80984011
formula: C43H88O3
inchikey: ISDBCJSGCHUHFI-UMZPFTBHSA-N
norman_susdat_id: NS00072822
pubchem_cid: 446373
smiles: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
inchi:
InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37-,38-,39-,40-,41-,42-,43-/m1/s1


name: 3,6,9,12,15,18,21,24,27,30-decaoxadotetracontan-1-ol
cas: 6540-99-4
chemspiderid: 128683
dtxsid: DTXSID30863903
formula: C32H66O11
inchikey: KOMQWDINDMFMPD-UHFFFAOYSA-N
norman_susdat_id: NS00013823
pubchem_cid: 145870
smiles: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C32H66O11/c1-2-3-4-5-6-7-8-9-10-11-13-34-15-17-36-19-21-38-23-25-40-27-29-42-31-32-43-30-28-41-26-24-39-22-20-37-18-16-35-14-12-33/h33H,2-32H2,1H3


cas: 65400-98-8
chemspiderid: 2285295
formula: C13H11Cl2N3O4
inchikey: COHTVILOUURPNC-UHFFFAOYSA-N
norman_susdat_id: NS00003242
pubchem_cid: 3017599
smiles: Cn1c(O)c(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n(C)c1=O
name:
N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-6-hydroxy-1,3-dimethyl-2,4-dioxopyri- midine-5-carboxamide

inchi:
InChI=1S/C13H11Cl2N3O4/c1-17-11(20)9(12(21)18(2)13(17)22)10(19)16-6-3-4-7(14)8(15)5-6/h3-5,20H,1-2H3,(H,16,19)


cas: 65402-16-6
formula: C30H27N5O9S3
inchikey: XCACOLZBPNOWJP-UHFFFAOYSA-N
norman_susdat_id: NS00056143
pubchem_cid: NA
name:
2-[4-[[4-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphomethyl)-3-pyridyl]azo]benzoyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonic acid

inchi:
InChI=1/C30H27N5O9S3/c1-4-35-29(37)22(15-46(39,40)41)17(3)24(30(35)38)34-33-21-12-6-18(7-13-21)27(36)31-20-10-8-19(9-11-20)28-32-23-14-5-16(2)26(25(23)45-28)47(42,43)44/h5-14,38H,4,15H2,1-3H3,(H,31,36)(H,39,40,41)(H,42,43,44)

smiles:
O=C(NC1=CC=C(C=C1)C2=NC=3C=CC(=C(C3S2)S(=O)(=O)O)C)C4=CC=C(N=NC5=C(O)N(C(=O)C(=C5C)CS(=O)(=O)O)CC)C=C4


name: Tetrabutylammonium methanesulphonate
cas: 65411-49-6
formula: C16H36N.CH3O3S
inchikey: XHYYGJAYKIYARQ-UHFFFAOYSA-M
norman_susdat_id: NS00087808
smiles: CCCC[N+](CCCC)(CCCC)CCCC.CS(=O)(=O)[O-]
inchi:
InChI=1/C16H36N.CH4O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h5-16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: Nicocortonide
cas: 65415-41-0
formula: C31H37NO7
inchikey: LZHLAFIPUJPCBN-MOPCRLEQSA-N
norman_susdat_id: NS00056577
pubchem_cid: 71746
smiles: O=C(OCC(=O)C12OC(OC3(CC1)C4CCC5=CC(=O)CCC5(C)C4C(O)CC23C)C=CC)C=6C=CN=CC6
inchi:
InChI=1/C31H37NO7/c1-4-5-25-38-30-12-13-31(39-25,24(35)18-37-27(36)19-9-14-32-15-10-19)29(30,3)17-23(34)26-22(30)7-6-20-16-21(33)8-11-28(20,26)2/h4-5,9-10,14-16,22-23,25-26,34H,6-8,11-13,17-18H2,1-3H3


name: Sodium 1-hydroxy-3,7-dimethyloct-6-ene-1-sulphonate
cas: 65416-29-7
dtxsid: DTXSID00886765
formula: C10H20O4S
inchikey: AOTGIENKPBLGMC-UHFFFAOYSA-M
norman_susdat_id: NS00055329
pubchem_cid: 103392
smiles: [Na+].O=S(=O)([O-])C(O)CC(C)CCC=C(C)C
inchi:
InChI=1/C10H20O4S.Na/c1-8(2)5-4-6-9(3)7-10(11)15(12,13)14;/h5,9-11H,4,6-7H2,1-3H3,(H,12,13,14);/q;+1/p-1


name: 3-(4,8-dimethylnon-7-enyl)-3-methyloxirane-2-carboxylic acid
cas: 65416-34-4
dtxsid: DTXSID20886767
formula: C15H26O3
inchikey: HNKTWOAOIFUVAM-UHFFFAOYSA-N
norman_susdat_id: NS00055873
pubchem_cid: 103397
smiles: O=C(O)C1OC1(C)CCCC(C)CCC=C(C)C
inchi:
InChI=1/C15H26O3/c1-11(2)7-5-8-12(3)9-6-10-15(4)13(18-15)14(16)17/h7,12-13H,5-6,8-10H2,1-4H3,(H,16,17)


cas: 65421-56-9
norman_susdat_id: NS00113501
name:
1,3-Benzenedicarboxylic acid, polymer with dimethyl 1,4-benzenedicarboxylate, 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid


name: 2,3,4,9-tetrahydro-1-methyl-1H-pyrido[3,4-b]indole-1-carboxylic acid
cas: 6543-83-5
formula: C13H14N2O2
inchikey: CNUNWGNKMNLSTM-UHFFFAOYSA-N
norman_susdat_id: NS00046919
pubchem_cid: NA
smiles: O=C(O)C1(NCCC=2C=3C=CC=CC3NC21)C
inchi:
InChI=1/C13H14N2O2/c1-13(12(16)17)11-9(6-7-14-13)8-4-2-3-5-10(8)15-11/h2-5,14-15H,6-7H2,1H3,(H,16,17)


cas: 65439-50-1
dtxsid: DTXSID50896415
formula: C16H5F17O3
inchikey: WZYJANZQIJZYAB-UHFFFAOYSA-N
norman_susdat_id: NS00110792
smiles: OC(=O)c1ccc(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1
name:
4-{[1,1,1,4,5,5,5-Heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy}benzoic acid

inchi:
InChI=1S/C16H5F17O3/c17-10(13(22,23)24,14(25,26)27)7(11(18,15(28,29)30)16(31,32)33)8(12(19,20)21)36-6-3-1-5(2-4-6)9(34)35/h1-4H,(H,34,35)


name: 20-(Isononylphenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol
cas: 65455-69-8
chemspiderid: 4957419
dtxsid: DTXSID70215780
formula: C29H52O8
inchikey: GNZROVOUESKWSK-UHFFFAOYSA-N
norman_susdat_id: NS00035879
pubchem_cid: 6455144
smiles: CC(C)CCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C29H52O8/c1-27(2)9-5-3-4-6-10-28-11-7-8-12-29(28)37-26-25-36-24-23-35-22-21-34-20-19-33-18-17-32-16-15-31-14-13-30/h7-8,11-12,27,30H,3-6,9-10,13-26H2,1-2H3


name: Bedaquiline
cas: 654653-93-7
chebiid: CHEBI:72292
dtxsid: DTXSID80903989
formula: C32H31BrN2O2
inchikey: QUIJNHUBAXPXFS-XLJNKUFUSA-N
norman_susdat_id: NS00069910
pubchem_cid: 5388906
smiles: COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12
inchi:
InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1


name: N-succinyl methionine
cas: 654677-17-5
dtxsid: DTXSID10332283
formula: C9H15NO5S
inchikey: CZFFMUMOBDIXJU-ZCFIWIBFSA-N
norman_susdat_id: NS00068852
pubchem_cid: 448581
smiles: CSCC[C@@H](NC(=O)CCC(=O)O)C(=O)O
inchi:
InChI=1S/C9H15NO5S/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13/h6H,2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/t6-/m1/s1


name: Naftifine
cas: 65472-88-0
chebiid: CHEBI:7451
chemspiderid: 43344
dtxsid: DTXSID6048545
formula: C21H21N1
inchikey: OZGNYLLQHRPOBR-DHZHZOJOSA-N
norman_susdat_id: NS00000659
pubchem_cid: 73342
smiles: CN(CC=CC1=CC=CC=C1)CC2=CC=CC3=CC=CC=C32
inchi:
InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3/b11-8+


cas: 6548-24-9
dtxsid: DTXSID70889561
formula: C41H34Cl2N8O8S2
inchikey: COZSRKYXXRGOIH-UHFFFAOYSA-L
norman_susdat_id: NS00046891
pubchem_cid: 165509
name:
Disodium 4,4'-[(phenylmethylene)bis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[3-chloro-5-methylbenzenesulphonate]

inchi:
InChI=1/C41H34Cl2N8O8S2.2Na/c1-22-18-31(60(54,55)56)20-33(42)38(22)50-40(52)36(24(3)48-50)46-44-29-14-10-27(11-15-29)35(26-8-6-5-7-9-26)28-12-16-30(17-13-28)45-47-37-25(4)49-51(41(37)53)39-23(2)19-32(21-34(39)43)61(57,58)59;;/h5-21,35-37H,1-4H3,(H,54,55,56)(H,57,58,59);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC=C(C=C2)C(C=3C=CC=CC3)C4=CC=C(N=NC5C(=O)N(N=C5C)C6=C(Cl)C=C(C=C6C)S(=O)(=O)[O-])C=C4)C7=C(Cl)C=C(C=C7C)S(=O)(=O)[O-]


cas: 6548-29-4
dtxsid: DTXSID9036804
formula: C32H22Cl2N6O12S4
inchikey: CVJSWNBRXDCNDI-UHFFFAOYSA-J
norman_susdat_id: NS00046892
pubchem_cid: 81034
name:
Tetrasodium 4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-aminonaphthalene-2,7-disulphonate]

inchi:
InChI=1/C32H22Cl2N6O12S4.4Na/c33-23-11-15(1-7-25(23)37-39-31-21-5-3-19(53(41,42)43)9-17(21)13-27(29(31)35)55(47,48)49)16-2-8-26(24(34)12-16)38-40-32-22-6-4-20(54(44,45)46)10-18(22)14-28(30(32)36)56(50,51)52;;;;/h1-14H,35-36H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(N)C2N=NC3=CC=C(C=C3Cl)C4=CC=C(N=NC=5C(N)=C(C=C6C=C(C=CC65)S(=O)(=O)[O-])S(=O)(=O)[O-])C(Cl)=C4)S(=O)(=O)[O-]


cas: 6548-30-7
dtxsid: DTXSID30889562
formula: C37H30N4O12S3
inchikey: XLBRYSLVZOQGLJ-UHFFFAOYSA-L
norman_susdat_id: NS00046921
pubchem_cid: 160858
name:
Disodium 8-[[3,3'-dimethoxy-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-7-hydroxynaphthalene-1,3-disulphonate

inchi:
InChI=1/C37H30N4O12S3.2Na/c1-22-4-13-28(14-5-22)56(49,50)53-27-11-9-26(10-12-27)38-39-30-15-6-23(19-33(30)51-2)24-7-16-31(34(20-24)52-3)40-41-37-32(42)17-8-25-18-29(54(43,44)45)21-35(36(25)37)55(46,47)48;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(O)C(N=NC3=CC=C(C=C3OC)C=4C=CC(N=NC5=CC=C(OS(=O)(=O)C6=CC=C(C=C6)C)C=C5)=C(OC)C4)=C2C(=C1)S(=O)(=O)[O-]


name: Phytolaccoside E (Esculentoside A)
cas: 65497-07-6
chemspiderid: 11657924
formula: C42H66O16
inchikey: ZMXKPCHQLHYTHY-OWRBLJEPSA-N
norman_susdat_id: NS00093711
pubchem_cid: 9832660
smiles:
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC


name: Ethyl [[3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-2H-1-benzopyran-7-yl]oxy]acetate hydrochloride
cas: 655-35-6
chebiid: CHEBI:31354
formula: C20H27NO5.ClH
inchikey: KSQIAZKOUOEHSA-UHFFFAOYSA-N
norman_susdat_id: NS00079711
smiles: Cl.CCOC(=O)COc1ccc2C(=C(CCN(CC)CC)C(=O)Oc2c1)C
inchi:
InChI=1/C20H27NO5.ClH/c1-5-21(6-2)11-10-17-14(4)16-9-8-15(12-18(16)26-20(17)23)25-13-19(22)24-7-3;/h8-9,12H,5-7,10-11,13H2,1-4H3;1H


name: 5-Methyl-2-(1-methylethyl)phenyl palmitate
cas: 6550-46-5
chemspiderid: 73109
dtxsid: DTXSID10215805
formula: C26H44O2
inchikey: ZAYCLSYLSAJBBX-UHFFFAOYSA-N
norman_susdat_id: NS00035882
pubchem_cid: 81036
smiles: CCCCCCCCCCCCCCCC(=O)Oc1c(ccc(C)c1)C(C)C
inchi:
InChI=1S/C26H44O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(27)28-25-21-23(4)19-20-24(25)22(2)3/h19-22H,5-18H2,1-4H3


name: 2-(Perfluorotetradecyl)-1-iodoethane
cas: 65510-55-6
chemspiderid: 93362
dtxsid: DTXSID4070322
formula: C16H4F29I1
inchikey: KHGHLOYBMLYJPS-UHFFFAOYSA-N
norman_susdat_id: NS00011025
pubchem_cid: 103405
inchi:
InChI=1S/C16H4F29I/c17-3(18,1-2-46)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)45/h1-2H2

smiles:
C(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-11-iodoundecane
cas: 65510-56-7
chemspiderid: 93363
dtxsid: DTXSID9070323
formula: C11H4F19I1
inchikey: UXFIGGWFHDAMOO-UHFFFAOYSA-N
norman_susdat_id: NS00011022
pubchem_cid: 103406
smiles: C(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H4F19I/c12-3(13,1-2-31)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h1-2H2


name: a-[[[(2-aminophenyl)methyl]methylamino]methyl]benzyl alcohol
cas: 65514-97-8
dtxsid: DTXSID30984107
formula: C16H20N2O
inchikey: DVGIYWMJXYCEFJ-UHFFFAOYSA-N
norman_susdat_id: NS00056634
pubchem_cid: 9837994
smiles: OC(C=1C=CC=CC1)CN(C)CC=2C=CC=CC2N
inchi:
InChI=1/C16H20N2O/c1-18(11-14-9-5-6-10-15(14)17)12-16(19)13-7-3-2-4-8-13/h2-10,16,19H,11-12,17H2,1H3


name: Pentanedioic acid, bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] ester
cas: 65520-42-5
chemspiderid: 93364
dtxsid: DTXSID4070324
formula: C25H48O10
inchikey: VYYKGEAVUMSSBR-UHFFFAOYSA-N
norman_susdat_id: NS00020689
pubchem_cid: 103407
smiles: CCCCOCCOCCOCCOC(=O)CCCC(=O)OCCOCCOCCOCCCC
inchi:
InChI=1S/C25H48O10/c1-3-5-10-28-12-14-30-16-18-32-20-22-34-24(26)8-7-9-25(27)35-23-21-33-19-17-31-15-13-29-11-6-4-2/h3-23H2,1-2H3


name: Butanedioic acid, bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] ester
cas: 65520-45-8
chemspiderid: 93365
dtxsid: DTXSID9070325
formula: C24H46O10
inchikey: POSOSGFICGBKPO-UHFFFAOYSA-N
norman_susdat_id: NS00035883
pubchem_cid: 103408
smiles: CCCCOCCOCCOCCOC(=O)CCC(=O)OCCOCCOCCOCCCC
inchi:
InChI=1S/C24H46O10/c1-3-5-9-27-11-13-29-15-17-31-19-21-33-23(25)7-8-24(26)34-22-20-32-18-16-30-14-12-28-10-6-4-2/h3-22H2,1-2H3


name: Bis[2-[2-(2-butoxyethoxy)ethoxy]ethyl] adipate
cas: 65520-46-9
chemspiderid: 93366
dtxsid: DTXSID4070326
formula: C26H50O10
inchikey: NRUKYANAWUDQNY-UHFFFAOYSA-N
norman_susdat_id: NS00001867
pubchem_cid: 103409
smiles: CCCCOCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCOCCCC
inchi:
InChI=1S/C26H50O10/c1-3-5-11-29-13-15-31-17-19-33-21-23-35-25(27)9-7-8-10-26(28)36-24-22-34-20-18-32-16-14-30-12-6-4-2/h3-24H2,1-2H3


name: MolMap_000035
cas: 65528-98-5
chebiid: CHEBI:62837
chemspiderid: 4470776
dtxsid: DTXSID10425008
formula: C21H41O7P1
inchikey: WRGQSWVCFNIUNZ-GDCKJWNLSA-N
norman_susdat_id: NS00015229
pubchem_cid: 5311263
smiles: CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
inchi:
InChI=1S/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)/b10-9-/t20-/m1/s1


cas: 65530-57-6
dtxsid: DTXSID40883056
norman_susdat_id: NS00110325
name:
Poly(difluoromethylene), .alpha.-fluoro-.omega.-[2-[[2-(trimethylammonio)ethyl]thio]ethyl]-, methyl sulfate


cas: 65530-58-7
dtxsid: DTXSID40882761
norman_susdat_id: NS00110300
name:
Poly(difluoromethylene), .alpha.-fluoro-.omega.-(2-hydroxyethyl)-, ester with 2,15-bis(carboxymethyl)-4,13-dioxo-3,14-dioxa-5,12-diazahexadecane-1,2,15,16-tetracarboxylic acid (6:1)


cas: 65530-59-8
dtxsid: DTXSID50883042
norman_susdat_id: NS00110669
name:
Poly(difluoromethylene), .alpha.-fluoro-.omega.-(2-hydroxyethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (3:1)


cas: 65530-63-4
dtxsid: DTXSID70883029
norman_susdat_id: NS00111353
name:
Ethanol, 2,2'-iminobis-, compd. with .alpha.-fluoro-.omega.-[2-(phosphonooxy)ethyl]poly(difluoromethylene) (2:1)


cas: 65530-64-5
dtxsid: DTXSID50882914
norman_susdat_id: NS00110655
name:
Ethanol, 2,2'-iminobis-, compd. with .alpha.,.alpha.'-[phosphinicobis(oxy-2,1-ethanediyl)]bis[.omega.-fluoropoly(difluoromethylene)] (1:1)


cas: 65530-68-9
dtxsid: DTXSID10882955
norman_susdat_id: NS00109283
name:
Poly(difluoromethylene), .alpha.-[2-[[2-[(carboxymethyl)dimethylammonio]ethyl]thio]ethyl]-.omega.-fluoro-, hydroxide, inner salt


cas: 65530-69-0
dtxsid: DTXSID90883086
norman_susdat_id: NS00112041
name:
Poly(difluoromethylene), .alpha.-[2-[(2-carboxyethyl)thio]ethyl]-.omega.-fluoro-, lithium salt (1:1)


cas: 65530-70-3
dtxsid: DTXSID60883018
norman_susdat_id: NS00110999
name:
Poly(difluoromethylene), .alpha.,.alpha.'-[phosphinicobis(oxy-2,1-ethanediyl)]bis[.omega.-fluoro-, ammonium salt


cas: 65530-74-7
dtxsid: DTXSID80883030
norman_susdat_id: NS00111690
name:
Ethanol, 2,2'-iminobis-, compd. with .alpha.-fluoro-.omega.-[2-(phosphonooxy)ethyl]poly(difluoromethylene) (1:1)


cas: 65530-78-1
dtxsid: DTXSID70882870
norman_susdat_id: NS00111336
name:
1,3-Propanediamine, N,N-dimethyl-, compd. with .alpha.,.alpha.'-[phosphinicobis(oxy-2,1-ethanediyl)]bis[.omega.-fluoropoly(difluoromethylene)] (1:1)


cas: 65530-79-2
dtxsid: DTXSID50882979
norman_susdat_id: NS00110662
name:
1,3-Propanediamine, N,N-dimethyl-, compd. with .alpha.-fluoro-.omega.-[2-(phosphonooxy)ethyl]poly(difluoromethylene) (2:1)


cas: 65530-80-5
dtxsid: DTXSID60882980
norman_susdat_id: NS00110996
name:
1,3-Propanediamine, N,N-dimethyl-, compd. with .alpha.-fluoro-.omega.-[2-(phosphonooxy)ethyl]poly(difluoromethylene) (1:1)


name: Guanine ribonucleotidyl-(3'-5')-adenosine
cas: 6554-00-3
chebiid: CHEBI:165825
chemspiderid: 2938011
dtxsid: DTXSID60215830
formula: C20H25N10O11P1
inchikey: PBWYGOYNGCCLAU-INFSMZHSSA-N
norman_susdat_id: NS00035888
pubchem_cid: 93033
inchi:
InChI=1S/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(33)10(32)7(40-18)2-38-42(36,37)41-13-6(1-31)39-19(12(13)34)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18?,19?/m1/s1

smiles:
Nc1nc(=O)c2c([nH]1)n(cn2)[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H]1O


name: 5'-O-trityluridine
cas: 6554-10-5
dtxsid: DTXSID60984130
formula: C28H26N2O6
inchikey: YQHCGMPQZCIQPS-UHFFFAOYSA-N
norman_susdat_id: NS00046930
pubchem_cid: 98292
smiles: O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C=4C=CC=CC4)C=5C=CC=CC5)C(O)C2O
inchi:
InChI=1/C28H26N2O6/c31-23-16-17-30(27(34)29-23)26-25(33)24(32)22(36-26)18-35-28(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-17,22,24-26,32-33H,18H2,(H,29,31,34)


name: Potassium 2-hydrazono-2,3-dihydro-3-methylbenzothiazole-6-sulphonate
cas: 65540-57-0
formula: C8H9N3O3S2
inchikey: FRBWOMAJEDCGPE-UHFFFAOYSA-M
norman_susdat_id: NS00055351
pubchem_cid: NA
smiles: [K+].O=S(=O)([O-])C1=CC=C2C(SC(=NN)N2C)=C1
inchi:
InChI=1/C8H9N3O3S2.K/c1-11-6-3-2-5(16(12,13)14)4-7(6)15-8(11)10-9;/h2-4H,9H2,1H3,(H,12,13,14);/q;+1/p-1


name: Didocosyl adipate
cas: 65540-77-4
dtxsid: DTXSID20984136
formula: C50H98O4
inchikey: YTOONCDLEBNDON-UHFFFAOYSA-N
norman_susdat_id: NS00056657
pubchem_cid: 3017610
smiles: O=C(OCCCCCCCCCCCCCCCCCCCCCC)CCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C50H98O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-47-53-49(51)45-41-42-46-50(52)54-48-44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3


cas: 65545-80-4
dtxsid: DTXSID6049727
norman_susdat_id: NS00075929
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with .alpha.-fluoro-.omega.-(2-hydroxyethyl)poly(difluoromethylene) (1:1)


name: 3-Hydroxyestran-17-one
cas: 65556-19-6
chebiid: CHEBI:36412
chemspiderid: 7827676
dtxsid: DTXSID90893660
formula: C18H28O2
inchikey: UOUIARGWRPHDBX-CQZDKXCPSA-N
norman_susdat_id: NS00010272
pubchem_cid: 9548753
smiles: C[C@]12CC[C@@H]3[C@H]4CC[C@H](C[C@@H]4CC[C@H]3[C@@H]1CCC2=O)O
inchi:
InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12+,13-,14+,15+,16-,18-/m0/s1


name: Inositol niacinate
cas: 6556-11-2
chebiid: CHEBI:33064
chemspiderid: 3589
dtxsid: DTXSID2023147
formula: C42H30N6O12
inchikey: MFZCIDXOLLEMOO-UHFFFAOYSA-N
norman_susdat_id: NS00003184
pubchem_cid: 3720
inchi:
InChI=1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H

smiles:
O=C(OC1C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C(OC(=O)c2cccnc2)C1OC(=O)c1cccnc1)c1cccnc1


cas: 65575-73-7
formula: C19H18N3O4S2.Cl
inchikey: BULLQCVZZDGKEM-UHFFFAOYSA-N
norman_susdat_id: NS00087855
smiles: [Cl-].OC(=O)C1=C(C[n+]2ccccc2)CSC3C(NC(=O)Cc4cccs4)C(=O)N13
name:
(6R-trans)-1-[[2-carboxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]pyridinium chloride

inchi:
InChI=1/C19H17N3O4S2.ClH/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21;/h1-8,15,18H,9-11H2,(H-,20,23,25,26);1H


name: trans-2,3,4,4a,9,13b-Hexahydro-2-methyl-1H-dibenzo(3,4:6,7)cyclohepta(1,2c)pyridine
cas: 65575-88-4
chemspiderid: 2342258
dtxsid: DTXSID90215848
formula: C19H21N1
inchikey: PCKRALVYSUGNGV-RTBURBONSA-N
norman_susdat_id: NS00035895
pubchem_cid: 3085328
smiles: CN1CC[C@H]2[C@H](C1)c1ccccc1Cc1ccccc21
inchi:
InChI=1S/C19H21N/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20/h2-9,18-19H,10-13H2,1H3/t18-,19-/m1/s1


name: trans-1,2,3,4,4a,13b-hexahydro-2-methyldibenzo[2,3:6,7]thiepino[4,5-c]pyridine
cas: 65576-13-8
dtxsid: DTXSID00984159
formula: C18H19NS
inchikey: NEQOHDVAFMMCPE-CJNGLKHVSA-N
norman_susdat_id: NS00056699
pubchem_cid: 56843495
smiles: S1C=2C=CC=CC2C3CN(C)CCC3C=4C=CC=CC14
inchi:
InChI=1/C18H19NS/c1-19-11-10-13-14-6-2-4-8-17(14)20-18-9-5-3-7-15(18)16(13)12-19/h2-9,13,16H,10-12H2,1H3


name: Asenapine
cas: 65576-45-6
chebiid: CHEBI:71256
chemspiderid: 143157
dtxsid: DTXSID8049048
formula: C17H16Cl1N1O1
inchikey: VSWBSWWIRNCQIJ-GJZGRUSLSA-N
norman_susdat_id: NS00035896
pubchem_cid: 3036780
smiles: CN1C[C@H]2[C@H](C1)c1c(Oc3ccc(Cl)cc23)cccc1
inchi:
InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m1/s1


name: 2,2'-((1-Methylethylidene)bis((2-bromo-4,1-phenylene)oxy))bisethanol
cas: 65581-15-9
chemspiderid: 4957436
dtxsid: DTXSID20215851
formula: C19H22Br2O4
inchikey: LFEXGRKRPALUFH-UHFFFAOYSA-N
norman_susdat_id: NS00035897
pubchem_cid: 6455161
smiles: CC(C)(c1ccc(OCCO)c(Br)c1)c1ccc(OCCO)c(Br)c1
inchi:
InChI=1S/C19H22Br2O4/c1-19(2,13-3-5-17(15(20)11-13)24-9-7-22)14-4-6-18(16(21)12-14)25-10-8-23/h3-6,11-12,22-23H,7-10H2,1-2H3


name: 4'-Demethylepipodophyllotoxin
cas: 6559-91-7
chebiid: CHEBI:74422
chemspiderid: 109466
dtxsid: DTXSID7048742
formula: C21H20O8
inchikey: YVCVYCSAAZQOJI-JHQYFNNDSA-N
norman_susdat_id: NS00035898
pubchem_cid: 122797
smiles: COc1cc(cc(OC)c1O)[C@@H]3c2cc5OCOc5cc2[C@@H](O)[C@H]4COC(=O)[C@H]34
inchi:
InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19+/m0/s1


name: N-(6-Aminohexyl)-5-chlor-1-naphthalensulfonamid
cas: 65595-90-6
chemspiderid: 5479
formula: C16H21Cl1N2O2S1
inchikey: IDEHCMNLNCJQST-UHFFFAOYSA-N
norman_susdat_id: NS00011713
pubchem_cid: 5681
smiles: c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN
inchi:
InChI=1S/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2


name: Arvenin III
cas: 65597-45-7
chemspiderid: 21579640
formula: C36H54O12
inchikey: GOWXUGYRPHOTEQ-QYNXQQORSA-N
norman_susdat_id: NS00094078
smiles:
C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O


cas: 65605-53-0
dtxsid: DTXSID90882655
norman_susdat_id: NS00112000
name:
2-Propenoic acid, 2-methyl-, 2-(diethylamino)ethyl ester, N-oxide, polymer with alpha-fluoro-omega-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]poly(difluoromethylene) and alpha-(2-methyl-1-oxo-2-propenyl)-omega-(nonylphenoxy)poly(oxy-1,2-ethanediyl)


cas: 65605-56-3
dtxsid: DTXSID00883012
norman_susdat_id: NS00108924
name:
Poly(difluoromethylene), .alpha.-fluoro-.omega.-(2-hydroxyethyl)-, dihydrogen 2-hydroxy-1,2,3-propanetricarboxylate


cas: 65605-57-4
dtxsid: DTXSID70883024
norman_susdat_id: NS00111352
name:
Poly(difluoromethylene), .alpha.-fluoro-.omega.-(2-hydroxyethyl)-, hydrogen 2-hydroxy-1,2,3-propanetricarboxylate


cas: 65605-58-5
dtxsid: DTXSID20882840
norman_susdat_id: NS00109623
name:
2-Propenoic acid, esters, 2-methyl-, dodecyl ester, polymer with .alpha.-fluoro-.omega.-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]poly(difluoromethylene)


cas: 65605-59-6
dtxsid: DTXSID60897635
norman_susdat_id: NS00111188
name:
2-Propenoic acid, 2-methyl-, dodecyl ester, polymer with α-fluoro-ω-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]poly(difluoromethylene) and N-(hydroxymethyl)-2-propenamide


cas: 65605-60-9
dtxsid: DTXSID00897614
norman_susdat_id: NS00109109
name:
2-Propenoic acid, 2-methyl-, dodecyl ester, polymer with α-fluoro-ω-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]poly(difluoromethylene), 2-hydroxyethyl 2-methyl-2-propenoate and N-(hydroxymethyl)-2-propenamide


cas: 65605-65-4
dtxsid: DTXSID10897620
norman_susdat_id: NS00109473
name:
2-Propenoic acid, 2-methyl-, 2-hydroxyethyl ester, polymer with N,N-dimethyl-2-propenamide, α-fluoro-ω-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]poly(difluoromethylene) and methyl 2-propenoate


cas: 65605-66-5
dtxsid: DTXSID10897645
norman_susdat_id: NS00109476
name:
2-Propenoic acid, butyl ester, polymer with α-fluoro-ω-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]poly(difluoromethylene) and N-(hydroxymethyl)-2-propenamide


cas: 65605-68-7
dtxsid: DTXSID80897617
norman_susdat_id: NS00111875
name:
2-Propenoic acid, 2-methyl-, 2-hydroxyethyl ester, polymer with butyl 2-propenoate, α-fluoro-ω-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]poly(difluoromethylene) and N-(hydroxymethyl)-2-propenamide


cas: 65605-69-8
dtxsid: DTXSID10882935
norman_susdat_id: NS00109281
name:
2-Propenoic acid, methyl ester, polymer with .alpha.-fluoro-.omega.-[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl]poly(difluoromethylene)


cas: 65605-70-1
dtxsid: DTXSID30882871
norman_susdat_id: NS00109971
name:
Poly(difluoromethylene), .alpha.-fluoro-.omega.-[2-[(1-oxo-2-propen-1-yl)oxy]ethyl]-  (2-Propeonic acid, perfluoro-C6-14-alkylethyl esters, C8 rich)


cas: 65605-71-2
dtxsid: DTXSID60897615
norman_susdat_id: NS00111186
name:
2-Propenoic acid, 2-methyl-, 2-hydroxyethyl ester, polymer with α-fluoro-ω-[2-[(1-oxo-2-propen-1-yl)oxy]ethyl]poly(difluoromethylene), N-(hydroxymethyl)-2-propenamide and (2,2,2-trifluoroethoxy)ethene


cas: 65605-72-3
dtxsid: DTXSID20897616
norman_susdat_id: NS00109825
name:
2-Propenoic acid, 2-methyl-, 2-hydroxyethyl ester, polymer with α-fluoro-ω-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]poly(difluoromethylene), N-(hydroxymethyl)-2-propenamide and methyl 2-propenoate


cas: 65605-74-5
dtxsid: DTXSID90897663
norman_susdat_id: NS00112228
name:
2-Propenoic acid, 2-oxiranylmethyl ester, polymer with α-fluoro-ω-[2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl]poly(difluoromethylene)


name: Pennogenin triglycoside
cas: 65607-37-6
chemspiderid: 21626520
formula: C45H72O17
inchikey: NABPSKKFOWENEB-KUYDPMQHSA-N
norman_susdat_id: NS00093685
pubchem_cid: 10252198
smiles:
C[C@@H]1CC[C@@]2([C@H]([C@]3([C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)O)C)OC1


name: Phytolaccoside A
cas: 65608-00-6
chemspiderid: 102469813
formula: C36H56O10
inchikey: NSIBODJHRJTEFG-MFMWZWQJSA-N
norman_susdat_id: NS00093707
smiles:
C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)OC


name: Nintedanib
cas: 656247-17-5
chebiid: CHEBI:91413
chemspiderid: 7985471
formula: C31H33N5O4
inchikey: XZXHXSATPCNXJR-UHFFFAOYSA-N
norman_susdat_id: NS00040680
pubchem_cid: 9809715
smiles: COC(=O)c1ccc2C(=C(Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1
inchi:
InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)


name: (6Î²)-6,19-epoxyandrost-4-ene-3,17-dione
cas: 6563-83-3
chemspiderid: 57620447
formula: C19H24O3
inchikey: ABDBICZRDFSYAS-UHFFFAOYSA-N
norman_susdat_id: NS00002501
pubchem_cid: 72679411
smiles: CC12CCC3C(CC4OCC33CCC(=O)C=C43)C1CCC2=O
inchi:
InChI=1S/C19H24O3/c1-18-6-5-14-12(13(18)2-3-17(18)21)9-16-15-8-11(20)4-7-19(14,15)10-22-16/h8,12-14,16H,2-7,9-10H2,1H3


name: 6,7,8,9,10,11,17,18-Octahydro-5H-dibenzo(e,n)(1,4,8,12)dioxadiazacyclopentadecine
cas: 65639-43-2
chemspiderid: 4247654
dtxsid: DTXSID40215878
formula: C19H24N2O2
inchikey: CHCYHXIUMOKQRL-UHFFFAOYSA-N
norman_susdat_id: NS00035899
pubchem_cid: 5070896
smiles: C1CNCc2ccccc2OCCOc2c(CNC1)cccc2
inchi:
InChI=1S/C19H24N2O2/c1-3-8-18-16(6-1)14-20-10-5-11-21-15-17-7-2-4-9-19(17)23-13-12-22-18/h1-4,6-9,20-21H,5,10-15H2


name: 4-Hydroxyphenyl retinamide
cas: 65646-68-6
chebiid: CHEBI:42588
dtxsid: DTXSID2032005
formula: C26H33NO2
inchikey: AKJHMTWEGVYYSE-FXILSDISSA-N
norman_susdat_id: NS00069470
pubchem_cid: 5288209
smiles: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1
inchi:
InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+


name: Phytolaccoside G (Esculentoside E)
cas: 65649-36-7
chemspiderid: 128258
formula: C35H54O11
inchikey: UERRXLUEVHKNBY-JDNGKTEJSA-N
norman_susdat_id: NS00093712
pubchem_cid: 113710
smiles:
C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)O


name: t-butylphenol diphosphate
cas: 65652-41-7
chemspiderid: 43396
formula: C26H31O4P1
inchikey: UQRSMZHDWDMLDH-UHFFFAOYSA-N
norman_susdat_id: NS00003553
pubchem_cid: 47696
smiles: CC(C)(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1C(C)(C)C
inchi:
InChI=1S/C26H31O4P/c1-25(2,3)21-16-10-12-18-23(21)29-31(27,28-20-14-8-7-9-15-20)30-24-19-13-11-17-22(24)26(4,5)6/h7-19H,1-6H3


name: a6-[(tert-butylamino)methyl]-3-hydroxypyridine-2,6-dimethanol monoacetate
cas: 65652-44-0
chebiid: CHEBI:8246
formula: C12H20N2O3.C2H4O2
inchikey: QSXMZJGGEWYVCN-UHFFFAOYSA-N
norman_susdat_id: NS00087857
smiles: CC(=O)O.CC(C)(C)NCC(O)c1ccc(O)c(CO)n1
inchi:
InChI=1/C12H20N2O3.C2H4O2/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8;1-2(3)4/h4-5,11,13,15-17H,6-7H2,1-3H3;1H3,(H,3,4)


name: 1H-Imidazole-1-propanenitrile, 4,5-bis[(2-cyanoethoxy)methyl]-2-phenyl-
cas: 65652-67-7
chemspiderid: 93384
dtxsid: DTXSID3070337
formula: C20H21N5O2
inchikey: XGQUSGCBVBFRGX-UHFFFAOYSA-N
norman_susdat_id: NS00022634
pubchem_cid: 103430
smiles: N#CCCOCc1c(COCCC#N)n(CCC#N)c(n1)c1ccccc1
inchi:
InChI=1S/C20H21N5O2/c21-9-4-12-25-19(16-27-14-6-11-23)18(15-26-13-5-10-22)24-20(25)17-7-2-1-3-8-17/h1-3,7-8H,4-6,12-16H2


name: Bis[N-[2-(4-hydrazinophenyl)ethyl]methanesulphonamide] sulphate
cas: 65665-49-8
dtxsid: DTXSID8070338
formula: C9H15N3O2S
inchikey: SLIXQXIILREMCB-UHFFFAOYSA-N
norman_susdat_id: NS00055858
pubchem_cid: 103432
smiles: O=S(=O)(O)O.O=S(=O)(NCCC1=CC=C(C=C1)NN)C.O=S(=O)(NCCC1=CC=C(C=C1)NN)C
inchi:
InChI=1/2C9H15N3O2S.H2O4S/c2*1-15(13,14)11-7-6-8-2-4-9(12-10)5-3-8;1-5(2,3)4/h2*2-5,11-12H,6-7,10H2,1H3;(H2,1,2,3,4)


cas: 65665-50-1
formula: C9H9N5OS.C6H15NO3
inchikey: LKTQXFQOQBQWKX-UHFFFAOYSA-N
norman_susdat_id: NS00088138
smiles: CC(=O)Nc1cccc(c1)N2NN=NC2=S.OCCN(CCO)CCO
name:
N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]acetamide, compound with 2,2',2''-nitrilotris[ethanol] (1:1)

inchi:
InChI=1/C9H9N5OS.C6H15NO3/c1-6(15)10-7-3-2-4-8(5-7)14-9(16)11-12-13-14;8-4-1-7(2-5-9)3-6-10/h2-5H,1H3,(H,10,15)(H,11,13,16);8-10H,1-6H2


name: a-(4-chlorophenyl)-a-[2-(dimethylamino)ethyl]pyridine-2-acetonitrile
cas: 65676-21-3
dtxsid: DTXSID50984225
formula: C17H18ClN3
inchikey: XWFSLFHFPQWKNV-UHFFFAOYSA-N
norman_susdat_id: NS00056782
pubchem_cid: 103434
smiles: N#CC(C1=NC=CC=C1)(C2=CC=C(Cl)C=C2)CCN(C)C
inchi:
InChI=1/C17H18ClN3/c1-21(2)12-10-17(13-19,16-5-3-4-11-20-16)14-6-8-15(18)9-7-14/h3-9,11H,10,12H2,1-2H3


name: a-(4-bromophenyl)-a-[2-(dimethylamino)ethyl]pyridine-2-acetonitrile
cas: 65676-22-4
dtxsid: DTXSID10984226
formula: C17H18BrN3
inchikey: UINDKFQISUGHOO-UHFFFAOYSA-N
norman_susdat_id: NS00055975
pubchem_cid: 103435
smiles: N#CC(C1=NC=CC=C1)(C2=CC=C(Br)C=C2)CCN(C)C
inchi:
InChI=1/C17H18BrN3/c1-21(2)12-10-17(13-19,16-5-3-4-11-20-16)14-6-8-15(18)9-7-14/h3-9,11H,10,12H2,1-2H3


name: Strophanthidin-Dtl
cas: 65681-32-5
chemspiderid: 171677
formula: C30H44O10
inchikey: DPKLBEWKXLCUQW-QSPNVOCOSA-N
norman_susdat_id: NS00093785
pubchem_cid: 150076
smiles:
C[C@H]1C([C@H]([C@@H](C(O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)OC)O


name: Reversine
cas: 656820-32-5
chebiid: CHEBI:70723
dtxsid: DTXSID8041113
formula: C21H27N7O
inchikey: ZFLJHSQHILSNCM-UHFFFAOYSA-N
norman_susdat_id: NS00069155
pubchem_cid: 210332
smiles: c1nc2c(NC3CCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1
inchi:
InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)


name: Bis[1]benzothieno[3,2-e:2',3'-g]isobenzofuran-5,7-dione
cas: 65689-55-6
dtxsid: DTXSID30215908
formula: C20H8O3S2
inchikey: ZNAMIHCKMMKPPU-UHFFFAOYSA-N
norman_susdat_id: NS00056784
pubchem_cid: NA
smiles: O=C1OC(=O)C=2C1=C3C(SC=4C=CC=CC43)=C5SC=6C=CC=CC6C52
inchi:
InChI=1/C20H8O3S2/c21-19-15-13-9-5-1-3-7-11(9)24-17(13)18-14(16(15)20(22)23-19)10-6-2-4-8-12(10)25-18/h1-8H


name: Bis[1]benzothieno[2,3-e:2',3'-g]isobenzofuran-6,8-dione
cas: 65689-56-7
dtxsid: DTXSID00984235
formula: C20H8O3S2
inchikey: GHUNIOUBRRNLQM-UHFFFAOYSA-N
norman_susdat_id: NS00056785
pubchem_cid: NA
smiles: O=C1OC(=O)C=2C1=C3SC=4C=CC=CC4C3=C5SC=6C=CC=CC6C52
inchi:
InChI=1/C20H8O3S2/c21-19-15-13-9-5-1-3-7-11(9)24-17(13)14-10-6-2-4-8-12(10)25-18(14)16(15)20(22)23-19/h1-8H


name: 4,4'-(Hexane-1,6-diylbis(oxy))bis(3-bromobenzonitrile)
cas: 65693-92-7
chemspiderid: 4957453
dtxsid: DTXSID60215911
formula: C20H18Br2N2O2
inchikey: VDHFAPUSOGNRCA-UHFFFAOYSA-N
norman_susdat_id: NS00035900
pubchem_cid: 6455178
smiles: Brc1cc(ccc1OCCCCCCOc1ccc(cc1Br)C#N)C#N
inchi:
InChI=1S/C20H18Br2N2O2/c21-17-11-15(13-23)5-7-19(17)25-9-3-1-2-4-10-26-20-8-6-16(14-24)12-18(20)22/h5-8,11-12H,1-4,9-10H2


name: Benzyldimethyl[3-[(1-oxohexadecyl)amino]propyl]ammonium chloride
cas: 65694-09-9
dtxsid: DTXSID20984237
formula: C28H51N2O
inchikey: FCWLLOCBTJAGDE-UHFFFAOYSA-N
norman_susdat_id: NS00055452
pubchem_cid: 3017621
smiles: [Cl-].O=C(NCCC[N+](C)(C)CC=1C=CC=CC1)CCCCCCCCCCCCCCC
inchi:
InChI=1/C28H50N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-23-28(31)29-24-20-25-30(2,3)26-27-21-17-16-18-22-27;/h16-18,21-22H,4-15,19-20,23-26H2,1-3H3;1H


name: Benzenemethanaminium, N,N-dimethyl-N-[3-[(1-oxooctadecyl)amino]propyl]-, chloride (1:1)
cas: 65694-10-2
chemspiderid: 93390
dtxsid: DTXSID20886782
formula: C30H55N2O1
inchikey: AAXROMSFDUILLW-UHFFFAOYSA-O
norman_susdat_id: NS00014110
pubchem_cid: 103438
smiles: [Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1
inchi:
InChI=1S/C30H54N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-30(33)31-26-22-27-32(2,3)28-29-23-19-18-20-24-29;/h18-20,23-24H,4-17,21-22,25-28H2,1-3H3;1H


name: 1-Undecanesulfonyl chloride, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoro-
cas: 65702-24-1
chemspiderid: 93392
dtxsid: DTXSID2070342
formula: C11H4Cl1F19O2S1
inchikey: UKNLPYXLGGKLMW-UHFFFAOYSA-N
norman_susdat_id: NS00011053
pubchem_cid: 103440
smiles: C([S](Cl)(=O)=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H4ClF19O2S/c12-34(32,33)2-1-3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)31/h1-2H2


name: Diethyl 2-[(3-cyclohexyl-3-oxopropyl)amino]nonanedioate
cas: 65706-08-3
dtxsid: DTXSID00984250
formula: C22H39NO5
inchikey: CXZWPQUTSPAXLM-UHFFFAOYSA-N
norman_susdat_id: NS00055555
pubchem_cid: 3017622
smiles: O=C(OCC)CCCCCCC(NCCC(=O)C1CCCCC1)C(=O)OCC
inchi:
InChI=1/C22H39NO5/c1-3-27-21(25)15-11-6-5-10-14-19(22(26)28-4-2)23-17-16-20(24)18-12-8-7-9-13-18/h18-19,23H,3-17H2,1-2H3


name: Diethyl 2-[(3-cyclohexyl-3-hydroxypropyl)amino]nonanedioate
cas: 65706-29-8
dtxsid: DTXSID60984251
formula: C22H41NO5
inchikey: DWBUWRWBSIVVAH-UHFFFAOYSA-N
norman_susdat_id: NS00055576
pubchem_cid: 3017623
smiles: O=C(OCC)CCCCCCC(NCCC(O)C1CCCCC1)C(=O)OCC
inchi:
InChI=1/C22H41NO5/c1-3-27-21(25)15-11-6-5-10-14-19(22(26)28-4-2)23-17-16-20(24)18-12-8-7-9-13-18/h18-20,23-24H,3-17H2,1-2H3


name: Apramycin sulphate
cas: 65710-07-8
formula: C21H41N5O11.xH2O4S
inchikey: WGLYHYWDYPSNPF-RQFIXDHTSA-N
norman_susdat_id: NS00087879
inchi:
InChI=1/C21H41N5O11.H2O4S/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31;1-5(2,3)4/h5-21,26-32H,2-4,22-25H2,1H3;(H2,1,2,3,4)

smiles:
CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@H]4O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O.OS(=O)(=O)O


name: Disofenin
cas: 65717-97-7
chebiid: CHEBI:135480
dtxsid: DTXSID90215924
formula: C18H26N2O5
inchikey: UDUSOMRJOPCWHT-UHFFFAOYSA-N
norman_susdat_id: NS00068069
pubchem_cid: 171682
smiles: CC(C)c1cccc(C(C)C)c1NC(=O)CN(CC(=O)O)CC(=O)O
inchi:
InChI=1S/C18H26N2O5/c1-11(2)13-6-5-7-14(12(3)4)18(13)19-15(21)8-20(9-16(22)23)10-17(24)25/h5-7,11-12H,8-10H2,1-4H3,(H,19,21)(H,22,23)(H,24,25)


name: Glycine Cresol Red
cas: 65720-39-0
dtxsid: DTXSID00215930
formula: C29H32N2O9S
inchikey: OKYOTYMRDBFYNX-UHFFFAOYSA-N
norman_susdat_id: NS00093669
smiles: CN(CC(O)=O)CC1=C(O)C(C)=CC(=C1)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC(CN(C)CC(O)=O)=C(O)C(C)=C1
inchi:
InChI=1S/C29H32N2O9S/c1-17-9-21(11-19(27(17)36)13-30(3)15-25(32)33)29(23-7-5-6-8-24(23)41(38,39)40-29)22-10-18(2)28(37)20(12-22)14-31(4)16-26(34)35/h5-12,36-37H,13-16H2,1-4H3,(H,32,33)(H,34,35)


cas: 65725-10-2
chebiid: CHEBI:2313
chemspiderid: 390703
dtxsid: DTXSID80215933
formula: C15H16O4
inchikey: NIYXMGSLECQTQT-BPNCWPANSA-N
norman_susdat_id: NS00094807
pubchem_cid: 442196
smiles: CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3CC1)C(CO)=CC2=O
name:
Azuleno(4,5-b)furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-9-(hydroxymethyl)-6-methyl-3-methylene-, (3aS-(3aalpha,9aalpha,9bbeta))-

inchi:
InChI=1S/C15H16O4/c1-7-3-4-10-8(2)15(18)19-14(10)13-9(6-16)5-11(17)12(7)13/h5,10,13-14,16H,2-4,6H2,1H3/t10-,13-,14-/m0/s1


name: 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-iodo-10-(trifluoromethyl)undecan-1-ol
cas: 65726-35-4
dtxsid: DTXSID30379913
formula: C12H6F19IO
inchikey: MFHOUSVHHLOPGM-UHFFFAOYSA-N
norman_susdat_id: NS00109859
smiles: OCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C12H6F19IO/c13-4(14,1-3(32)2-33)6(16,17)8(20,21)10(24,25)9(22,23)7(18,19)5(15,11(26,27)28)12(29,30)31/h3,33H,1-2H2


name: RU 24501
cas: 65731-84-2
chebiid: CHEBI:39336
chemspiderid: 84282
dtxsid: DTXSID80274146
formula: C22H19Cl2N1O3
inchikey: KAATUXNTWXVJKI-NSHGMRRFSA-N
norman_susdat_id: NS00009720
pubchem_cid: 93357
smiles: CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1
inchi:
InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1


name: (+)-Theta-Cypermethrin
cas: 65732-07-2
chebiid: CHEBI:39338
dtxsid: DTXSID8058247
formula: C22H19Cl2NO3
inchikey: KAATUXNTWXVJKI-GGPKGHCWSA-N
norman_susdat_id: NS00076437
smiles: CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1
inchi:
InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18-,20+/m1/s1


cas: 65749-35-1
formula: C36H46N4O4
inchikey: OSUJLNYIBSFLGQ-UHFFFAOYSA-N
norman_susdat_id: NS00055058
pubchem_cid: 13627271
smiles: N#CC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2O)NC(=O)C(OC3=CC=C(C=C3C(C)(C)CC)C(C)(C)CC)CCCC
name:
2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-3-hydroxyphenyl]hexanamide

inchi:
InChI=1/C36H46N4O4/c1-8-11-12-32(44-31-20-15-25(35(4,5)9-2)21-28(31)36(6,7)10-3)33(42)38-27-18-19-29(30(41)22-27)40-34(43)39-26-16-13-24(23-37)14-17-26/h13-22,32,41H,8-12H2,1-7H3,(H,38,42)(H2,39,40,43)


cas: 65749-36-2
chemspiderid: 93398
dtxsid: DTXSID7070347
formula: C42H55N3O4
inchikey: XGGOANIEEUCIAR-UHFFFAOYSA-N
norman_susdat_id: NS00035905
pubchem_cid: 103450
smiles: CCN(CCO)c1cc(C)c(cc1)N=C1C=C(C(=O)NCCCCOc2c(cc(cc2)C(C)(C)CC)C(C)(C)CC)C(=O)c2c1cccc2
name:
2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-4-[[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]imino]-1,4-dihydro-1-oxo-

inchi:
InChI=1S/C42H55N3O4/c1-9-41(5,6)30-18-21-38(35(27-30)42(7,8)10-2)49-25-15-14-22-43-40(48)34-28-37(32-16-12-13-17-33(32)39(34)47)44-36-20-19-31(26-29(36)4)45(11-3)23-24-46/h12-13,16-21,26-28,46H,9-11,14-15,22-25H2,1-8H3,(H,43,48)/b44-37-


name: Potassium (R)-[(3-ethoxy-1-methyl-3-oxopropylidene)amino]phenylacetate
cas: 65749-39-5
formula: C14H17NO4
inchikey: NNTAWXTYOPKLIR-GZBVNRNUSA-M
norman_susdat_id: NS00055578
pubchem_cid: 103452
smiles: [K+].O=C([O-])C(N=C(C)CC(=O)OCC)C=1C=CC=CC1
inchi:
InChI=1/C14H17NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-8,13H,3,9H2,1-2H3,(H,17,18);/q;+1/p-1


cas: 6576-51-8
formula: C22H27N9O4.ClH
inchikey: SFYSJFJQEGCACQ-UHFFFAOYSA-N
norman_susdat_id: NS00082707
smiles: Cl.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC=O)cn3C)cn2C)cc1C(=O)NCCC(=N)N
name:
N-[5-[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-4-[[[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl-1H-pyrrole-2-carboxamide monohydrochloride

inchi:
InChI=1/C22H27N9O4.ClH/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24;/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34);1H


cas: 65767-27-3
formula: C39H45N2S2.ClO4
inchikey: GSNCVSBBWPKYBF-UHFFFAOYSA-M
norman_susdat_id: NS00087683
smiles: [O-]Cl(=O)(=O)=O.CC[n+]5c6ccccc6sc5C=C1\C=C(/CC(C)(C)C1)C=CC=C2\C=C(/CC(C)(C)C2)C=C4Sc3ccccc3N4CC
name:
3-ethyl-2-[[3-[3-[3-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-5,5-dimethylcyclohex-2-en-1-ylidene]methyl]benzothiazolium perchlorate

inchi:
InChI=1/C39H45N2S2.ClHO4/c1-7-40-32-16-9-11-18-34(32)42-36(40)22-30-20-28(24-38(3,4)26-30)14-13-15-29-21-31(27-39(5,6)25-29)23-37-41(8-2)33-17-10-12-19-35(33)43-37;2-1(3,4)5/h9-23H,7-8,24-27H2,1-6H3;(H,2,3,4,5)/q+1;/p-1


cas: 65767-29-5
dtxsid: DTXSID60215971
formula: C47H49N2S2
inchikey: KYCPJTVPVKLRBG-UHFFFAOYSA-M
norman_susdat_id: NS00055077
pubchem_cid: NA
name:
Naphtho[2,1-d]thiazolium, 3-ethyl-2-[[3-[3-[3-[(3-ethylnaphtho[2,1-d]thiazol-2(3H)-ylidene)methyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]-1-propenyl]-5,5-dimethyl-2-cyclohexen-1-ylidene]methyl]-, perchlorate

inchi:
InChI=1/C47H49N2S2.ClHO4/c1-7-48-40-22-20-36-16-9-11-18-38(36)44(40)50-42(48)26-34-24-32(28-46(3,4)30-34)14-13-15-33-25-35(31-47(5,6)29-33)27-43-49(8-2)41-23-21-37-17-10-12-19-39(37)45(41)51-43;2-1(3,4)5/h9-27H,7-8,28-31H2,1-6H3;(H,2,3,4,5)/q+1;/p-1

smiles:
O=Cl(=O)(=O)[O-].S1C(=CC2=CC(=CC=CC3=CC(=CC=4SC=5C=6C=CC=CC6C=CC5[N+]4CC)CC(C)(C)C3)CC(C)(C)C2)N(C=7C=CC=8C=CC=CC8C17)CC


name: 2-methyl-4,6-di(p-tolyl)pyrylium tetrafluoroborate
cas: 65776-60-5
dtxsid: DTXSID40886567
formula: C20H19O
inchikey: WCQITYLQHFJMIX-UHFFFAOYSA-N
norman_susdat_id: NS00055579
pubchem_cid: 13397013
smiles: F[B-](F)(F)F.[O+]=1C(=CC(=CC1C)C=2C=CC(=CC2)C)C=3C=CC(=CC3)C
inchi:
InChI=1/C20H19O.BF4/c1-14-4-8-17(9-5-14)19-12-16(3)21-20(13-19)18-10-6-15(2)7-11-18;2-1(3,4)5/h4-13H,1-3H3;/q+1;-1


name: 2-(2-ethoxybut-1-enyl)-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium
cas: 65776-61-6
dtxsid: DTXSID7070349
formula: C17H24NO5S2
inchikey: OCOQIXABQGDZEQ-UHFFFAOYSA-N
norman_susdat_id: NS00056423
pubchem_cid: 105203
smiles: O=S(=O)([O-])CCC[N+]1=C(SC=2C=CC(OC)=CC21)C=C(OCC)CC
inchi:
InChI=1/C17H23NO5S2/c1-4-13(23-5-2)12-17-18(9-6-10-25(19,20)21)15-11-14(22-3)7-8-16(15)24-17/h7-8,11-12H,4-6,9-10H2,1-3H3


name: 2,3-Quinoxalinediamine, N,N'-diethyl-
cas: 65776-63-8
chemspiderid: 94906
dtxsid: DTXSID1070351
formula: C12H16N4
inchikey: UYTGGRJPWFSBEV-UHFFFAOYSA-N
norman_susdat_id: NS00035913
pubchem_cid: 105206
smiles: CCNc1c(NCC)nc2ccccc2n1
inchi:
InChI=1S/C12H16N4/c1-3-13-11-12(14-4-2)16-10-8-6-5-7-9(10)15-11/h5-8H,3-4H2,1-2H3,(H,13,15)(H,14,16)


name: 3-(3-hydroxypropyl)-5-methoxy-2-methylbenzothiazolium iodide
cas: 65776-64-9
dtxsid: DTXSID00886568
formula: C12H16NO2S
inchikey: XBGABTWBPWSCNG-UHFFFAOYSA-M
norman_susdat_id: NS00055580
pubchem_cid: 105207
smiles: [I-].OCCC[N+]=1C=2C=C(OC)C=CC2SC1C
inchi:
InChI=1/C12H16NO2S.HI/c1-9-13(6-3-7-14)11-8-10(15-2)4-5-12(11)16-9;/h4-5,8,14H,3,6-7H2,1-2H3;1H/q+1;/p-1


name: Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1,1,3,3-tetramethylbutyl)-
cas: 65796-87-4
dtxsid: DTXSID6070354
formula: C22H38O
inchikey: VDOJQPKPGQMNDA-UHFFFAOYSA-N
norman_susdat_id: NS00066877
smiles: CC(C)(C)CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C22H38O/c1-19(2,3)14-22(10,11)15-12-16(20(4,5)6)18(23)17(13-15)21(7,8)9/h12-13,23H,14H2,1-11H3


name: 1-(carboxymethyl)-4,5-dihydro-1-(2-hydroxyethyl)-2-undecyl-1H-imidazolium
cas: 65799-08-8
formula: C18H35N2O3
inchikey: FWIJLRSOBQIWFM-UHFFFAOYSA-O
norman_susdat_id: NS00087940
smiles: CCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O
inchi:
InChI=1/C18H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-17-19-12-13-20(17,14-15-21)16-18(22)23/h21H,2-16H2,1H3/p+1


name: N-glycyl-L-tyrosine
cas: 658-79-7
chebiid: CHEBI:73517
formula: C11H14N2O4
inchikey: XBGGUPMXALFZOT-VIFPVBQESA-N
norman_susdat_id: NS00041852
pubchem_cid: NA
smiles: O=C(O)C(NC(=O)CN)CC1=CC=C(O)C=C1
inchi:
InChI=1/C11H14N2O4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)


name: Fluopyram
cas: 658066-35-4
chebiid: CHEBI:83070
chemspiderid: 9333461
dtxsid: DTXSID9058151
formula: C16H11Cl1F6N2O1
inchikey: KVDJTXBXMWJJEF-UHFFFAOYSA-N
norman_susdat_id: NS00001768
pubchem_cid: 11158353
smiles: FC(F)(F)c1cnc(CCNC(=O)c2ccccc2C(F)(F)F)c(Cl)c1
inchi:
InChI=1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)


name: Goserelin
cas: 65807-02-5
chemspiderid: 43424
dtxsid: DTXSID7048297
formula: C59H84N18O14
inchikey: BLCLNMBMMGCOAS-UHFFFAOYSA-N
norman_susdat_id: NS00003698
pubchem_cid: 47725
inchi:
InChI=1S/C59H84N18O14/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90)

smiles:
CC(C)CC(NC(=O)C(COC(C)(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NNC(N)=O


name: Fk866
cas: 658084-64-1
formula: C24H29N3O2
inchikey: KPBNHDGDUADAGP-VAWYXSNFSA-N
norman_susdat_id: NS00069346
pubchem_cid: 6914657
smiles: O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2)CC1
inchi:
InChI=1S/C24H29N3O2/c28-23(12-11-21-8-6-15-25-19-21)26-16-5-4-7-20-13-17-27(18-14-20)24(29)22-9-2-1-3-10-22/h1-3,6,8-12,15,19-20H,4-5,7,13-14,16-18H2,(H,26,28)/b12-11+


name: Benzoic acid, 4-[[(ethylphenylamino)methylene]amino]-, ethyl ester
cas: 65816-20-8
chemspiderid: 94913
dtxsid: DTXSID6070356
formula: C18H20N2O2
inchikey: LTGPEBRDBMFYBR-UHFFFAOYSA-N
norman_susdat_id: NS00035916
pubchem_cid: 105215
smiles: CCOC(=O)c1ccc(cc1)N=CN(CC)c1ccccc1
inchi:
InChI=1S/C18H20N2O2/c1-3-20(17-8-6-5-7-9-17)14-19-16-12-10-15(11-13-16)18(21)22-4-2/h5-14H,3-4H2,1-2H3/b19-14+


name: N-(2-aminoethyl)-N'-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]ethylenediamine
cas: 65817-49-4
dtxsid: DTXSID40984310
formula: C26H55N5
inchikey: YJXHETPXKRYQLW-UHFFFAOYSA-N
norman_susdat_id: NS00055536
pubchem_cid: 3017631
smiles: N1=C(N(CC1)CCNCCNCCN)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H55N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-30-23-25-31(26)24-22-29-21-20-28-19-18-27/h28-29H,2-25,27H2,1H3


name: 3-[[3-(dodecylamino)propyl]amino]butyric acid
cas: 6582-31-6
dtxsid: DTXSID20863912
formula: C19H40N2O2
inchikey: KRGUCURBMCFAOW-UHFFFAOYSA-N
norman_susdat_id: NS00046988
pubchem_cid: 65586
smiles: O=C(O)CC(NCCCNCCCCCCCCCCCC)C
inchi:
InChI=1/C19H40N2O2/c1-3-4-5-6-7-8-9-10-11-12-14-20-15-13-16-21-18(2)17-19(22)23/h18,20-21H,3-17H2,1-2H3,(H,22,23)


name: benzene, (1-methylheptadecyl)-
cas: 6583-67-1
dtxsid: DTXSID70880755
formula: C24H42
inchikey: TWACGLJYZUHSPS-UHFFFAOYSA-N
norman_susdat_id: NS00095925
smiles: CCCCCCCCCCCCCCCCC(C)c1ccccc1
inchi:
InChI=1/C24H42/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(2)24-21-18-16-19-22-24/h16,18-19,21-23H,3-15,17,20H2,1-2H3


name: Morniflumate
cas: 65847-85-0
chebiid: CHEBI:136018
dtxsid: DTXSID6057798
formula: C19H20F3N3O3
inchikey: LDXSPUSKBDTEKA-UHFFFAOYSA-N
norman_susdat_id: NS00071652
pubchem_cid: 72106
smiles: O=C(OCCN1CCOCC1)c1cccnc1Nc1cccc(C(F)(F)F)c1
inchi:
InChI=1S/C19H20F3N3O3/c20-19(21,22)14-3-1-4-15(13-14)24-17-16(5-2-6-23-17)18(26)28-12-9-25-7-10-27-11-8-25/h1-6,13H,7-12H2,(H,23,24)


cas: 65848-22-8
dtxsid: DTXSID40984335
formula: C36H52N2O6
inchikey: FJHUFSIAXILXDF-UHFFFAOYSA-N
norman_susdat_id: NS00056472
pubchem_cid: 20842004
smiles: O=C(NCCOC)COC1=CCC(O)(C(=O)NCCCCOC2=CC=C(C=C2C(C)(C)CC)C(C)(C)CC)C=3C=CC=CC13
name:
N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[2-[(2-methoxyethyl)amino]-2-oxoethoxy]naphthalene-1-carboxamide

inchi:
InChI=1/C36H52N2O6/c1-8-34(3,4)26-16-17-31(29(24-26)35(5,6)9-2)43-22-13-12-20-38-33(40)36(41)19-18-30(27-14-10-11-15-28(27)36)44-25-32(39)37-21-23-42-7/h10-11,14-18,24,41H,8-9,12-13,19-23,25H2,1-7H3,(H,37,39)(H,38,40)


cas: 65848-23-9
dtxsid: DTXSID00984336
formula: C35H48N2O6
inchikey: NLUWKRMIQAHZIR-UHFFFAOYSA-N
norman_susdat_id: NS00056473
pubchem_cid: 3017633
smiles: O=C(NCCCCOC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC)C=2C=C(OCC(=O)NCCO)C=3C=CC=CC3C2O
name:
N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[2-[(2-hydroxyethyl)amino]-2-oxoethoxy]naphthalene-2-carboxamide

inchi:
InChI=1/C35H48N2O6/c1-7-34(3,4)24-15-16-29(28(21-24)35(5,6)8-2)42-20-12-11-17-37-33(41)27-22-30(43-23-31(39)36-18-19-38)25-13-9-10-14-26(25)32(27)40/h9-10,13-16,21-22,38,40H,7-8,11-12,17-20,23H2,1-6H3,(H,36,39)(H,37,41)


name: 1,3,2-Dioxaphosphorinane, 2,2'-[1,4-phenylenebis(methylene)]bis[5,5-dimethyl-, 2,2'-dioxide
cas: 65850-52-4
chemspiderid: 94916
dtxsid: DTXSID6070358
formula: C18H28O6P2
inchikey: HEJAJPLMZFPDTC-UHFFFAOYSA-N
norman_susdat_id: NS00035919
pubchem_cid: 105219
smiles: CC1(C)COP(=O)(Cc2ccc(CP3(=O)OCC(C)(C)CO3)cc2)OC1
inchi:
InChI=1S/C18H28O6P2/c1-17(2)11-21-25(19,22-12-17)9-15-5-7-16(8-6-15)10-26(20)23-13-18(3,4)14-24-26/h5-8H,9-14H2,1-4H3


cas: 65850-54-6
chemspiderid: 94917
dtxsid: DTXSID1070359
formula: C20H32O6P2
inchikey: WXXIZSXQJRYHCL-UHFFFAOYSA-N
norman_susdat_id: NS00035920
pubchem_cid: 105220
smiles: Cc1cc(CP2(=O)OCC(C)(C)CO2)c(C)cc1CP1(=O)OCC(C)(C)CO1
name:
1,3,2-Dioxaphosphorinane, 2,2'-[(2,5-dimethyl-1,4-phenylene)bis(methylene)]bis[5,5-dimethyl-, 2,2'-dioxide

inchi:
InChI=1S/C20H32O6P2/c1-15-7-18(10-28(22)25-13-20(5,6)14-26-28)16(2)8-17(15)9-27(21)23-11-19(3,4)12-24-27/h7-8H,9-14H2,1-6H3


name: 2,4-Imidazolidinedione, 5-ethoxy-1-(phenylmethyl)-
cas: 65855-02-9
chemspiderid: 733302
dtxsid: DTXSID60886786
formula: C12H14N2O3
inchikey: FUQZCDCFSMSNBP-LLVKDONJSA-N
norman_susdat_id: NS00002144
pubchem_cid: 839348
smiles: CCO[C@H]1N(Cc2ccccc2)C(=O)NC1=O
inchi:
InChI=1S/C12H14N2O3/c1-2-17-11-10(15)13-12(16)14(11)8-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,13,15,16)/t11-/m1/s1


name: 1-methyl-2-[(2-methyl-1-oxoallyl)oxy]ethyl hydrogen phthalate
cas: 65859-45-2
dtxsid: DTXSID20886787
formula: C15H16O6
inchikey: HQYSAIKKBLWFBW-UHFFFAOYSA-N
norman_susdat_id: NS00055538
pubchem_cid: 106661
smiles: O=C(O)C=1C=CC=CC1C(=O)OC(C)COC(=O)C(=C)C
inchi:
InChI=1/C15H16O6/c1-9(2)14(18)20-8-10(3)21-15(19)12-7-5-4-6-11(12)13(16)17/h4-7,10H,1,8H2,2-3H3,(H,16,17)


name: 3,7-bis(ethylamino)-2,8-dimethylphenothiazin-5-ium chloride, compound with zinc chloride
cas: 6586-05-6
formula: C18H22N3S
inchikey: GGKWUSWRGRCLEV-UHFFFAOYSA-K
norman_susdat_id: NS00047494
pubchem_cid: NA
smiles: [Cl-].[Cl-].[Cl-].[Zn+2].N1=C2C=C(C(=CC2=[S+]C3=CC(NCC)=C(C=C13)C)NCC)C
inchi:
InChI=1/C18H22N3S.3ClH.Zn/c1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17;;;;/h7-10,19-20H,5-6H2,1-4H3;3*1H;/q+1;;;;+2/p-3


name: [1,1'-Biphenyl]-4-carbonitrile, 4'-undecyl-
cas: 65860-74-4
chemspiderid: 94921
dtxsid: DTXSID5070363
formula: C24H31N1
inchikey: YIJBPYUXIFSTAP-UHFFFAOYSA-N
norman_susdat_id: NS00035922
pubchem_cid: 105224
smiles: CCCCCCCCCCCc1ccc(cc1)c1ccc(cc1)C#N
inchi:
InChI=1S/C24H31N/c1-2-3-4-5-6-7-8-9-10-11-21-12-16-23(17-13-21)24-18-14-22(20-25)15-19-24/h12-19H,2-11H2,1H3


name: 1',3'-dihydro-7-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]
cas: 6587-80-0
dtxsid: DTXSID40984350
formula: C20H21N2O4
inchikey: YVXQOVOKDWEDNL-UHFFFAOYSA-N
norman_susdat_id: NS00046216
pubchem_cid: 110908
smiles: O=[N+]([O-])C1=CC=2C=CC3(OC2C=C1OC)N(C=4C=CC=CC4C3(C)C)C
inchi:
InChI=1/C20H20N2O4/c1-19(2)14-7-5-6-8-15(14)21(3)20(19)10-9-13-11-16(22(23)24)18(25-4)12-17(13)26-20/h5-12H,1-4H3


name: Trimethylolpropane tris(3,5,5-trimethylhexanoate)
cas: 65870-94-2
chemspiderid: NA
dtxsid: DTXSID00893575
formula: C33H62O6
inchikey: REYKSYBQEAZBFA-UHFFFAOYSA-N
norman_susdat_id: NS00003958
pubchem_cid: 54263204
smiles: CCC(COC(=O)CC(C)CC(C)(C)C)(COC(=O)CC(C)CC(C)(C)C)COC(=O)CC(C)CC(C)(C)C
inchi:
InChI=1S/C33H62O6/c1-14-33(21-37-27(34)15-24(2)18-30(5,6)7,22-38-28(35)16-25(3)19-31(8,9)10)23-39-29(36)17-26(4)20-32(11,12)13/h24-26H,14-23H2,1-13H3


name: 1H-Isoindol-1-one, 3,3'-[(2-chloro-1,4-phenylene)dinitrilo]bis[4,5,6,7-tetrachloro-2,3-dihydro-
cas: 65883-03-6
chemspiderid: 94924
dtxsid: DTXSID0070366
formula: C22H5Cl9N4O2
inchikey: KAVTZNAONUOIDY-UHFFFAOYSA-N
norman_susdat_id: NS00035926
pubchem_cid: 105227
smiles: Clc1c(NC2=NC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)ccc(NC2=NC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1
inchi:
InChI=1S/C22H5Cl9N4O2/c23-5-3-4(32-19-7-9(21(36)34-19)13(26)17(30)15(28)11(7)24)1-2-6(5)33-20-8-10(22(37)35-20)14(27)18(31)16(29)12(8)25/h1-3H,(H,32,34,36)(H,33,35,37)


name: Ciadox
cas: 65884-46-0
chemspiderid: 14886310
formula: C12H9N5O3
inchikey: MBCZYLSVSCJJJQ-VGOFMYFVSA-N
norman_susdat_id: NS00011824
pubchem_cid: NA
smiles: c1ccc2c(c1)[n+](cc([n+]2[O-])/C=N/NC(=O)CC#N)[O-]
inchi:
InChI=1S/C12H9N5O3/c13-6-5-12(18)15-14-7-9-8-16(19)10-3-1-2-4-11(10)17(9)20/h1-4,7-8H,5H2,(H,15,18)/b14-7+


name: Diethyl [1,1-dimethyl-2-(4-methyl-2,5-dioxoimidazolidin-4-yl)ethyl]phosphonate
cas: 65884-79-9
dtxsid: DTXSID10984362
formula: C12H23N2O5P
inchikey: LCLFUDOECCRUTI-UHFFFAOYSA-N
norman_susdat_id: NS00055643
pubchem_cid: 6455210
smiles: O=C1NC(=O)C(N1)(C)CC(C)(C)P(=O)(OCC)OCC
inchi:
InChI=1/C12H23N2O5P/c1-6-18-20(17,19-7-2)11(3,4)8-12(5)9(15)13-10(16)14-12/h6-8H2,1-5H3,(H2,13,14,15,16)


name: Tioconazole
cas: 65899-73-2
chebiid: CHEBI:77898
chemspiderid: 5282
dtxsid: DTXSID3046619
formula: C16H13Cl3N2O1S1
inchikey: QXHHHPZILQDDPS-UHFFFAOYSA-N
norman_susdat_id: NS00010049
pubchem_cid: 5482
smiles: Clc1sccc1COC(Cn1ccnc1)c1ccc(Cl)cc1Cl
inchi:
InChI=1S/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2


name: Furathiocarb
cas: 65907-30-4
chebiid: CHEBI:38504
chemspiderid: 43456
dtxsid: DTXSID3052725
formula: C18H26N2O5S1
inchikey: HAWJXYBZNNRMNO-UHFFFAOYSA-N
norman_susdat_id: NS00000148
pubchem_cid: 47759
smiles: CCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C
inchi:
InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3


name: 2-Naphthalenecarboxamide, 4-[(4-chloro-2-methylphenyl)azo]-N-(2-ethoxyphenyl)-3-hydroxy-
cas: 65907-69-9
chemspiderid: 7850693
dtxsid: DTXSID0070368
formula: C26H22Cl1N3O3
inchikey: PBZAQXHQPHZWIF-UHFFFAOYSA-N
norman_susdat_id: NS00035929
pubchem_cid: NA
smiles: CCOc1c(NC(=O)c2cc3ccccc3c(N=Nc3c(C)cc(Cl)cc3)c2O)cccc1
inchi:
InChI=1S/C26H22ClN3O3/c1-3-33-23-11-7-6-10-22(23)28-26(32)20-15-17-8-4-5-9-19(17)24(25(20)31)30-29-21-13-12-18(27)14-16(21)2/h4-15,31H,3H2,1-2H3,(H,28,32)/b30-29+


name: Ammonium bismuth(3+) 2-hydroxypropane-1,2,3-tricarboxylate(2:1:1)
cas: 6591-52-2
formula: C6H8O7.Bi.2H3N
inchikey: UZRRZJVEEIAJIQ-UHFFFAOYSA-M
norman_susdat_id: NS00082366
smiles: [NH4+].[NH4+].[BiH3+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.Bi.2H3N.3H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;2*1H3;;;/q;+3;;;;;/p-1/rC6H8O7.BiH3.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H3/q;+3;;/p-1


name: Bismuth lactate
cas: 6591-53-3
formula: C6H9BiO6
inchikey: ASOAAYYASHKNSP-UHFFFAOYSA-K
norman_susdat_id: NS00081926
smiles: [BiH3+3].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-]
inchi:
InChI=1/3C3H6O3.Bi.3H/c3*1-2(4)3(5)6;;;;/h3*2,4H,1H3,(H,5,6);;;;/q;;;+3;;;/p-3/r3C3H6O3.BiH3/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);1H3/q;;;+3/p-3


name: Dibismuth tritartrate
cas: 6591-56-6
formula: C4H6O6.2/3Bi
inchikey: SBSHHSJCRXWFPY-UHFFFAOYSA-H
norman_susdat_id: NS00082736
smiles: [BiH3+3].[BiH3+3].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-].OC(C(O)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/3C4H6O6.2Bi.6H/c3*5-1(3(7)8)2(6)4(9)10;;;;;;;;/h3*1-2,5-6H,(H,7,8)(H,9,10);;;;;;;;/q;;;2*+3;;;;;;/p-6/r3C4H6O6.2BiH3/c3*5-1(3(7)8)2(6)4(9)10;;/h3*1-2,5-6H,(H,7,8)(H,9,10);2*1H3/q;;;2*+3/p-6


name: Bismuth tris[12-(butylthio)dodecanoate]
cas: 6591-57-7
dtxsid: DTXSID10984387
formula: C16H32O2S
inchikey: YPQUPRMTHACGAX-UHFFFAOYSA-K
norman_susdat_id: NS00047559
pubchem_cid: NA
smiles: O=C([O-])CCCCCCCCCCCSCCCC.O=C([O-])CCCCCCCCCCCSCCCC.O=C([O-])CCCCCCCCCCCSCCCC.[BiH3+3]
inchi:
InChI=1/3C16H32O2S.Bi.3H/c3*1-2-3-14-19-15-12-10-8-6-4-5-7-9-11-13-16(17)18;;;;/h3*2-15H2,1H3,(H,17,18);;;;/q;;;+3;;;/p-3/r3C16H32O2S.BiH3/c3*1-2-3-14-19-15-12-10-8-6-4-5-7-9-11-13-16(17)18;/h3*2-15H2,1H3,(H,17,18);1H3/q;;;+3/p-3


name: Glycolic acid, compound with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1:1)
cas: 6591-59-9
formula: C20H21NO4.C8H8O3
inchikey: GBJBOTPQKLOLLB-UHFFFAOYSA-N
norman_susdat_id: NS00082351
smiles: COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.OCC(=O)O
inchi:
InChI=1/C20H21NO4.C2H4O3/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;3-1-2(4)5/h5-8,10-12H,9H2,1-4H3;3H,1H2,(H,4,5)


name: Acetamide, N-[2-[(2,6-dicyano-4-nitrophenyl)azo]-5-[[2-(2-ethoxyethoxy)ethyl]ethylamino]phenyl]-
cas: 65916-12-3
chemspiderid: 94925
dtxsid: DTXSID5070369
formula: C24H27N7O5
inchikey: AKJJWOKXRZZDHV-UHFFFAOYSA-N
norman_susdat_id: NS00020329
pubchem_cid: 105230
smiles: CCOCCOCCN(CC)c1cc(NC(=O)C)c(cc1)N=Nc1c(cc(cc1C#N)[N+](=O)[O-])C#N
inchi:
InChI=1S/C24H27N7O5/c1-4-30(8-9-36-11-10-35-5-2)20-6-7-22(23(14-20)27-17(3)32)28-29-24-18(15-25)12-21(31(33)34)13-19(24)16-26/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,27,32)/b29-28+


name: N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxy-5-[(1-methylpentyl)amino]phenyl]acetamide
cas: 65916-13-4
dtxsid: DTXSID80886788
formula: C21H27BrN6O6
inchikey: XDLFAHVQHIYZDC-UHFFFAOYSA-N
norman_susdat_id: NS00055645
pubchem_cid: 106662
smiles: O=C(NC=1C=C(NC(C)CCCC)C(OC)=CC1N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C
inchi:
InChI=1/C21H25BrN6O6/c1-5-6-7-12(2)23-18-10-16(24-13(3)29)17(11-20(18)34-4)25-26-21-15(22)8-14(27(30)31)9-19(21)28(32)33/h8-12,23H,5-7H2,1-4H3,(H,24,29)


name: N-[4-methoxy-3-[(1-methylpentyl)amino]phenyl]acetamide
cas: 65916-14-5
dtxsid: DTXSID40886789
formula: C15H24N2O2
inchikey: KDVBCMHDPJCRBL-UHFFFAOYSA-N
norman_susdat_id: NS00054282
pubchem_cid: 106663
smiles: O=C(NC1=CC=C(OC)C(=C1)NC(C)CCCC)C
inchi:
InChI=1/C15H24N2O2/c1-5-6-7-11(2)16-14-10-13(17-12(3)18)8-9-15(14)19-4/h8-11,16H,5-7H2,1-4H3,(H,17,18)


name: 5-aminonaphthyl sulphate
cas: 65916-16-7
dtxsid: DTXSID4070370
formula: C20H16N2O4S
inchikey: UZQNDGWMOYUYPJ-UHFFFAOYSA-N
norman_susdat_id: NS00054760
pubchem_cid: NA
smiles: O=S(=O)(OC1=CC=CC=2C(N)=CC=CC12)OC3=CC=CC=4C(N)=CC=CC34
inchi:
InChI=1/C20H16N2O4S/c21-17-9-1-7-15-13(17)5-3-11-19(15)25-27(23,24)26-20-12-4-6-14-16(20)8-2-10-18(14)22/h1-12H,21-22H2


name: Dienogest
cas: 65928-58-7
chebiid: CHEBI:70708
chemspiderid: 62093
dtxsid: DTXSID80891478
formula: C20H25N1O2
inchikey: AZFLJNIPTRTECV-FUMNGEBKSA-N
norman_susdat_id: NS00000598
pubchem_cid: 68861
smiles: C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC#N)O
inchi:
InChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1


name: Phytolaccoside D (Esculentoside C)
cas: 65931-92-2
chemspiderid: 10724099
formula: C42H66O15
inchikey: NMDFCFOQBAHNPV-RFTJXAPBSA-N
norman_susdat_id: NS00093710
pubchem_cid: 8899432
smiles:
C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)OC


cas: 65954-87-2
chemspiderid: 21162273
dtxsid: DTXSID9070373
formula: C24H29N5O7
inchikey: KJVPJFKGDOKNJC-UHFFFAOYSA-N
norman_susdat_id: NS00035935
pubchem_cid: 105233
smiles: CCOC(=O)CCN(CCC(=O)OCC)c1cc(NC(=O)C)c(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
name:
.beta.-Alanine, N-[3-(acetylamino)-4-[(4-nitrophenyl)azo]phenyl]-N-(3-ethoxy-3-oxopropyl)-, ethyl ester

inchi:
InChI=1S/C24H29N5O7/c1-4-35-23(31)12-14-28(15-13-24(32)36-5-2)20-10-11-21(22(16-20)25-17(3)30)27-26-18-6-8-19(9-7-18)29(33)34/h6-11,16H,4-5,12-15H2,1-3H3,(H,25,30)


name: 2-(trimethylammonio)ethyl cholest-5-en-3ß-yl hydrogen phosphate
cas: 65956-64-1
dtxsid: DTXSID60984438
formula: C32H59NO4P
inchikey: MWEZHNCHKXEIBJ-RWFZIKKDSA-O
norman_susdat_id: NS00054302
pubchem_cid: 12068500
smiles: O=P(O)(OCC[N+](C)(C)C)OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1
inchi:
InChI=1/C32H58NO4P/c1-23(2)10-9-11-24(3)28-14-15-29-27-13-12-25-22-26(37-38(34,35)36-21-20-33(6,7)8)16-18-31(25,4)30(27)17-19-32(28,29)5/h12,23-24,26-30H,9-11,13-22H2,1-8H3/p+1


name: Pentacontane
cas: 6596-40-3
dtxsid: DTXSID70216171
formula: C50H102
inchikey: PFLUOWJPZLHUEA-UHFFFAOYSA-N
norman_susdat_id: NS00046279
pubchem_cid: 81067
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C50H102/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-50H2,1-2H3


name: 2,5-Dihydroxy-4-octadecylbenzenesulphonic acid
cas: 6596-77-6
chemspiderid: 73142
dtxsid: DTXSID90216173
formula: C24H42O5S1
inchikey: GMEWXTUITOHSIL-UHFFFAOYSA-N
norman_susdat_id: NS00035936
pubchem_cid: 81069
smiles: CCCCCCCCCCCCCCCCCCc1cc(O)c(cc1O)S(=O)(=O)O
inchi:
InChI=1S/C24H42O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-23(26)24(20-22(21)25)30(27,28)29/h19-20,25-26H,2-18H2,1H3,(H,27,28,29)


name: Gigactonine
cas: 65967-20-6
chemspiderid: 101619926
formula: C24H39NO7
inchikey: DKODPYKVVJKLFU-FCXNFKKQSA-N
norman_susdat_id: NS00094361
smiles:
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)O)CO


name: Tripentacontafluoro-26-iodohexacosane
cas: 65975-15-7
chemspiderid: 2285327
dtxsid: DTXSID10880552
formula: C26F53I1
inchikey: JKPQYAMTJKRMMG-UHFFFAOYSA-N
norman_susdat_id: NS00011189
pubchem_cid: 3017639
inchi:
InChI=1S/C26F53I/c27-1(28,3(31,32)5(35,36)7(39,40)9(43,44)11(47,48)13(51,52)15(55,56)17(59,60)19(63,64)21(67,68)23(71,72)25(75,76)77)2(29,30)4(33,34)6(37,38)8(41,42)10(45,46)12(49,50)14(53,54)16(57,58)18(61,62)20(65,66)22(69,70)24(73,74)26(78,79)80

smiles:
FC(I)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 6598-56-7
formula: C34H28N6O6S2
inchikey: FJYCYXFOJKFVCO-UHFFFAOYSA-L
norman_susdat_id: NS00047002
pubchem_cid: 6455227
name:
Disodium 4-amino-3-[[4'-[(2-amino-6-sulphonatonaphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]naphthalene-1-sulphonate

inchi:
InChI=1/C34H28N6O6S2.2Na/c1-19-15-21(8-13-29(19)37-39-31-18-32(48(44,45)46)26-5-3-4-6-27(26)33(31)36)22-9-14-30(20(2)16-22)38-40-34-25-11-10-24(47(41,42)43)17-23(25)7-12-28(34)35;;/h3-18H,35-36H2,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C2C(C=CC(N)=C2N=NC3=CC=C(C=C3C)C4=CC=C(N=NC=5C=C(C=6C=CC=CC6C5N)S(=O)(=O)[O-])C(=C4)C)=C1


cas: 6598-62-5
dtxsid: DTXSID5064415
formula: C37H30N4O13S4
inchikey: VIIUOXGZDWUVCX-UHFFFAOYSA-K
norman_susdat_id: NS00047560
pubchem_cid: 81072
name:
Trisodium 4-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-5,5'-dimethyl-4'-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-2,2'-disulphonate

inchi:
InChI=1/C37H30N4O13S4.3Na/c1-21-8-14-26(15-9-21)58(52,53)54-25-12-10-24(11-13-25)38-39-31-18-35(56(46,47)48)29(16-22(31)2)30-17-23(3)32(19-36(30)57(49,50)51)40-41-33-20-34(55(43,44)45)27-6-4-5-7-28(27)37(33)42;;;/h4-20,42H,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC(N=NC=2C=C(C(=CC2C)C3=CC(=C(N=NC4=CC=C(OS(=O)(=O)C5=CC=C(C=C5)C)C=C4)C=C3S(=O)(=O)[O-])C)S(=O)(=O)[O-])=C(O)C=6C=CC=CC61


cas: 6598-63-6
chemspiderid: 7850397
dtxsid: DTXSID10889565
formula: C34H24N6O11S2
inchikey: UJHQBTPRMLQDRG-JIPKYQGJSA-K
norman_susdat_id: NS00019535
pubchem_cid: NA
name:
Trisodium 4-((1-hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl)amino)carbonyl)amino)-3-sulphonato-2-naphthyl)azo)benzoate

inchi:
InChI=1S/C34H24N6O11S2/c41-27-16-19-14-24(11-13-26(19)32(53(49,50)51)29(27)39-38-22-8-6-18(7-9-22)33(43)44)36-34(45)35-23-10-12-25-20(15-23)17-28(52(46,47)48)30(31(25)42)40-37-21-4-2-1-3-5-21/h1-17,37-38H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51)/b39-29-,40-30-

smiles:
[Na+].[Na+].[Na+].[O-]C(=O)c1ccc(N/N=C2/C(=O)C=c3cc(NC(=O)Nc4cc5c(cc4)C(=O)/C(=NNc4ccccc4)/C(=C5)S(=O)(=O)[O-])ccc3=C2S(=O)(=O)[O-])cc1


cas: 6598-95-4
dtxsid: DTXSID50984462
formula: C26H31FO7
inchikey: MQQZOQZVFKAHJB-UHFFFAOYSA-N
norman_susdat_id: NS00047584
pubchem_cid: NA
smiles: O=C(OCC(=O)C12OC(OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C64OC6CC31C)(C)C)C
name:
9ß,11ß-epoxy-6a-fluoro-21-hydroxy-16a,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-acetate

inchi:
InChI=1/C26H31FO7/c1-13(28)31-12-19(30)26-20(32-22(2,3)34-26)10-15-16-9-18(27)17-8-14(29)6-7-23(17,4)25(16)21(33-25)11-24(15,26)5/h6-8,15-16,18,20-21H,9-12H2,1-5H3


name: Diammonium pentachlororhodate
cas: 65980-78-1
formula: Cl5Rh.2H4N
inchikey: HHCSUHVCEVKNLA-UHFFFAOYSA-F
norman_susdat_id: NS00087483
smiles: [NH4+].[NH4+].Cl[Rh-](Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)Cl
inchi:
InChI=1/10ClH.2H3N.2Rh/h10*1H;2*1H3;;/q;;;;;;;;;;;;2*+5/p-8/r2Cl5Rh.2H3N/c2*1-6(2,3,4)5;;/h;;2*1H3/p+2


name: 2-(3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-8-yloxy)ethyl prop-2-enoate
cas: 65983-31-5
chemspiderid: 84284
dtxsid: DTXSID7044970
formula: C15H20O3
inchikey: VPQCXNHTQSRYAT-UHFFFAOYNA-N
norman_susdat_id: NS00020018
pubchem_cid: NA
smiles: C=CC(=O)OCCOC1CC2CC1C1CC=CC21
inchi:
InChI=1S/C15H20O3/c1-2-15(16)18-7-6-17-14-9-10-8-13(14)12-5-3-4-11(10)12/h2-4,10-14H,1,5-9H2/t10-,11+,12+,13-,14-/m0/s1


name: N-(N-(1-(2,4-Dinitrophenyl)-L-prolyl)-L-leucyl)glycine
cas: 65985-66-2
chemspiderid: 4957498
dtxsid: DTXSID30216197
formula: C19H25N5O8
inchikey: AKFPJMPDELFVBU-ZFWWWQNUSA-N
norman_susdat_id: NS00035937
pubchem_cid: 6455226
smiles: CC(C)C[C@H](NC(=O)[C@@H]1CCCN1c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)O
inchi:
InChI=1S/C19H25N5O8/c1-11(2)8-13(18(27)20-10-17(25)26)21-19(28)15-4-3-7-22(15)14-6-5-12(23(29)30)9-16(14)24(31)32/h5-6,9,11,13,15H,3-4,7-8,10H2,1-2H3,(H,20,27)(H,21,28)(H,25,26)/t13-,15-/m0/s1


name: Strophanthidin
cas: 66-28-4
chebiid: CHEBI:38178
chemspiderid: 5950
formula: C23H32O6
inchikey: ODJLBQGVINUMMR-HZXDTFASSA-N
norman_susdat_id: NS00010436
pubchem_cid: 6185
smiles: C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O
inchi:
InChI=1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1


name: Strychnidin-10-one mononitrate
cas: 66-32-0
formula: C21H22N2O2.HNO3
inchikey: PCGVPMHGSJFFTI-ZEYGOCRCSA-N
norman_susdat_id: NS00078952
smiles: O[N+](=O)[O-].O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67
inchi:
InChI=1/C21H22N2O2.HNO3/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;2-1(3)4/h1-5,13,16-17,19-20H,6-11H2;(H,2,3,4)


name: Dicumarol
cas: 66-76-2
chebiid: CHEBI:4513
chemspiderid: 10183330
dtxsid: DTXSID8021729
formula: C19H12O6
inchikey: DOBMPNYZJYQDGZ-UHFFFAOYSA-N
norman_susdat_id: NS00001589
pubchem_cid: 54676038
smiles: Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
inchi:
InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2


name: Oxacillin
cas: 66-79-5
chebiid: CHEBI:7809
chemspiderid: 5961
dtxsid: DTXSID8023397
formula: C19H19N3O5S1
inchikey: UWYHMGVUTGAWSP-JKIFEVAISA-N
norman_susdat_id: NS00000572
pubchem_cid: 6196
smiles: CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NO1)C1=CC=CC=C1
inchi:
InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1


name: Cycloheximide
cas: 66-81-9
chebiid: CHEBI:27641
chemspiderid: 5962
dtxsid: DTXSID6024882
formula: C15H23N1O4
inchikey: YPHMISFOHDHNIV-FSZOTQKASA-N
norman_susdat_id: NS00004971
pubchem_cid: 6197
smiles: C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1
inchi:
InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1


name: Copper distearate
cas: 660-60-6
formula: C18H36O2.1/2Cu
inchikey: PEVZEFCZINKUCG-UHFFFAOYSA-L
norman_susdat_id: NS00079496
smiles: [Cu+2].[O-]C(=O)CCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/2C18H36O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2


name: 3,9-Dicyclohex-3-enyl-2,4,8,10-tetraoxaspiro[5.5]undecane
cas: 6600-31-3
chemspiderid: 88614
dtxsid: DTXSID9052343
formula: C19H28O4
inchikey: WKTJXDHLMJKSGI-UHFFFAOYSA-N
norman_susdat_id: NS00011527
pubchem_cid: 98143
smiles: C1CC(CC=C1)C2OCC3(CO2)COC(OC3)C4CCC=CC4
inchi:
InChI=1S/C19H28O4/c1-3-7-15(8-4-1)17-20-11-19(12-21-17)13-22-18(23-14-19)16-9-5-2-6-10-16/h1-3,5,15-18H,4,6-14H2


name: 4,4'-Methylenebis(2,6-dicyclopentylphenol)
cas: 66003-80-3
chemspiderid: 4957502
dtxsid: DTXSID50216215
formula: C33H44O2
inchikey: TUPXVPCNMFLLOS-UHFFFAOYSA-N
norman_susdat_id: NS00035938
pubchem_cid: 6455230
smiles: Oc1c(cc(Cc2cc(C3CCCC3)c(O)c(c2)C2CCCC2)cc1C1CCCC1)C1CCCC1
inchi:
InChI=1S/C33H44O2/c34-32-28(24-9-1-2-10-24)18-22(19-29(32)25-11-3-4-12-25)17-23-20-30(26-13-5-6-14-26)33(35)31(21-23)27-15-7-8-16-27/h18-21,24-27,34-35H,1-17H2


name: 2-[N-(1,1-Dihydroperfluorotridecylsulfonyl)-N-methylamino]ethyl acrylate
cas: 66008-67-1
chemspiderid: 94930
dtxsid: DTXSID9070375
formula: C19H12F25N1O4S1
inchikey: NYDXNYWTPDRONX-UHFFFAOYSA-N
norman_susdat_id: NS00011062
pubchem_cid: 105236
inchi:
InChI=1S/C19H12F25NO4S/c1-3-7(46)49-5-4-45(2)50(47,48)6-8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)16(36,37)17(38,39)18(40,41)19(42,43)44/h3H,1,4-6H2,2H3

smiles:
C(N([S](=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)COC(=O)C=C


name: 2-[N-(1,1-Dihydroperfluoroundecylsulfonyl)-N-methylamino]ethyl acrylate
cas: 66008-68-2
chemspiderid: 94931
dtxsid: DTXSID4070376
formula: C17H12F21N1O4S1
inchikey: XGSOKOQKZXARCB-UHFFFAOYSA-N
norman_susdat_id: NS00011059
pubchem_cid: 105237
inchi:
InChI=1S/C17H12F21NO4S/c1-3-7(40)43-5-4-39(2)44(41,42)6-8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)38/h3H,1,4-6H2,2H3

smiles:
C(N([S](=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)COC(=O)C=C


name: 2-(N-((Perfluorooctyl)methylsulfonyl)-N-methylamino)ethyl acrylate
cas: 66008-69-3
chemspiderid: 94932
dtxsid: DTXSID70880553
formula: C15H12F17N1O4S1
inchikey: PIINPBJRTIJQBX-UHFFFAOYSA-N
norman_susdat_id: NS00011056
pubchem_cid: 105238
smiles: C(N([S](=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)COC(=O)C=C
inchi:
InChI=1S/C15H12F17NO4S/c1-3-7(34)37-5-4-33(2)38(35,36)6-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h3H,1,4-6H2,2H3


name: 2-(Methyl((perfluorohexyl)methylsulfonyl)amino)ethyl 2-propenoate
cas: 66008-70-6
chemspiderid: 94933
dtxsid: DTXSID9070377
formula: C13H12F13N1O4S1
inchikey: JERPDWBDDQYOBE-UHFFFAOYSA-N
norman_susdat_id: NS00011048
pubchem_cid: 105239
smiles: C(N([S](=O)(=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)COC(=O)C=C
inchi:
InChI=1S/C13H12F13NO4S/c1-3-7(28)31-5-4-27(2)32(29,30)6-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h3H,1,4-6H2,2H3


name: N-(Carboxymethyl)-N,N-dimethyl-3-(methyl((perfluorohexyl)ethylsulfonyl)amino)-1-propanaminium
cas: 66008-71-7
chemspiderid: 2299177
dtxsid: DTXSID30880554
formula: C16H22F13N2O4S1
inchikey: IXKVVULTIBZSFS-UHFFFAOYSA-N
norman_susdat_id: NS00011055
pubchem_cid: 3034768
smiles: C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C[S](=O)(=O)N(CCC[N+](CC([O-])=O)(C)C)C
inchi:
InChI=1S/C16H21F13N2O4S/c1-30(6-4-7-31(2,3)9-10(32)33)36(34,35)8-5-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h4-9H2,1-3H3


name: N-(2-Carboxyethyl)-N,N-dimethyl-3-[methyl[(perfluorohexyl)ethylsulfonyl]amino]-1-propanaminium
cas: 66008-72-8
chemspiderid: 2299178
dtxsid: DTXSID4070378
formula: C17H24F13N2O4S1
inchikey: TUOHUMKQNSQWKE-UHFFFAOYSA-N
norman_susdat_id: NS00011054
pubchem_cid: 3034769
smiles: C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C[S](=O)(=O)N(CCC[N+](CCC([O-])=O)(C)C)C
inchi:
InChI=1S/C17H23F13N2O4S/c1-31(7-4-8-32(2,3)9-5-11(33)34)37(35,36)10-6-12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h4-10H2,1-3H3


name: Octadecyl heptanoate
cas: 66009-41-4
chemspiderid: 94936
dtxsid: DTXSID9070379
formula: C25H50O2
inchikey: ABTZKZVAJTXGNN-UHFFFAOYSA-N
norman_susdat_id: NS00014129
pubchem_cid: 105242
smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC
inchi:
InChI=1S/C25H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27-25(26)23-21-8-6-4-2/h3-24H2,1-2H3


name: Cirsimaritin
cas: 6601-62-3
chebiid: CHEBI:81337
dtxsid: DTXSID00216220
formula: C17H14O6
inchikey: ZIIAJIWLQUVGHB-UHFFFAOYSA-N
norman_susdat_id: NS00097247
smiles: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)OC
inchi:
InChI=1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3


name: Trisodium 3-[(o-arsonatophenyl)azo]-4,5-dihydroxynaphthalene-2,7-disulphonate
cas: 66019-20-3
formula: C16H13AsN2O11S2.3Na
inchikey: NBVFGAJJMPGDDH-UHFFFAOYSA-J
norman_susdat_id: NS00087782
smiles: [Na+].[Na+].[Na+].[O-][As]([O-])(=O)c3ccccc3N=Nc2c(cc1cc(cc(O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O
inchi:
InChI=1/C16H13AsN2O11S2.3Na/c20-12-7-9(31(25,26)27)5-8-6-13(32(28,29)30)15(16(21)14(8)12)19-18-11-4-2-1-3-10(11)17(22,23)24;;;/h1-7,20-21H,(H2,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-4


name: N-(5-amino-2-chlorophenyl)-2-chloro-4,4-dimethyl-3-oxovaleramide
cas: 66027-80-3
dtxsid: DTXSID50886790
formula: C13H16Cl2N2O2
inchikey: HVCWEXJMNBBKJL-UHFFFAOYSA-N
norman_susdat_id: NS00054873
pubchem_cid: 106668
smiles: O=C(NC1=CC(N)=CC=C1Cl)C(Cl)C(=O)C(C)(C)C
inchi:
InChI=1/C13H16Cl2N2O2/c1-13(2,3)11(18)10(15)12(19)17-9-6-7(16)4-5-8(9)14/h4-6,10H,16H2,1-3H3,(H,17,19)


name: Dimethyl[2-[2-[methylbis(2-methylpropyl)phenoxy]ethoxy]ethyl]amine
cas: 66027-97-2
dtxsid: DTXSID90984486
formula: C21H37NO2
inchikey: OVVOCHPIOCOTSJ-UHFFFAOYSA-N
norman_susdat_id: NS00055247
pubchem_cid: NA
smiles: O(C1=CC=C(C(=C1C)CC(C)C)CC(C)C)CCOCCN(C)C
inchi:
InChI=1/C21H37NO2/c1-16(2)14-19-8-9-21(18(5)20(19)15-17(3)4)24-13-12-23-11-10-22(6)7/h8-9,16-17H,10-15H2,1-7H3


name: N-[2-[2-[bis(2-methylpropyl)phenoxy]ethoxy]ethyl]-N,N-dimethylamine
cas: 66027-99-4
dtxsid: DTXSID10984488
formula: C20H35NO2
inchikey: UQHKVRFAYPCQOO-UHFFFAOYSA-N
norman_susdat_id: NS00054893
pubchem_cid: NA
smiles: O(C1=CC=CC(=C1CC(C)C)CC(C)C)CCOCCN(C)C
inchi:
InChI=1/C20H35NO2/c1-16(2)14-18-8-7-9-20(19(18)15-17(3)4)23-13-12-22-11-10-21(5)6/h7-9,16-17H,10-15H2,1-6H3


name: [2-(2-chloroethoxy)ethoxy]bis(2-methylpropyl)benzene
cas: 66028-00-0
dtxsid: DTXSID70984489
formula: C18H29ClO2
inchikey: SSIYMIKHPYYCEF-UHFFFAOYSA-N
norman_susdat_id: NS00056227
pubchem_cid: NA
smiles: ClCCOCCOC1=CC=CC(=C1CC(C)C)CC(C)C
inchi:
InChI=1/C18H29ClO2/c1-14(2)12-16-6-5-7-18(17(16)13-15(3)4)21-11-10-20-9-8-19/h5-7,14-15H,8-13H2,1-4H3


name: Benzene, 1-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]-4-octyl-
cas: 66028-01-1
chemspiderid: 94942
dtxsid: DTXSID0028296
formula: C20H33Cl1O3
inchikey: FKZRSAZGVZJHSV-UHFFFAOYSA-N
norman_susdat_id: NS00035942
pubchem_cid: 105248
smiles: CCCCCCCCc1ccc(OCCOCCOCCCl)cc1
inchi:
InChI=1S/C20H33ClO3/c1-2-3-4-5-6-7-8-19-9-11-20(12-10-19)24-18-17-23-16-15-22-14-13-21/h9-12H,2-8,13-18H2,1H3


name: Phenothrin Isomer 1
cas: 66036-31-5
chemspiderid: 131581
dtxsid: DTXSID40216244
formula: C23H26O3
inchikey: SBNFWQZLDJGRLK-LEWJYISDSA-N
norman_susdat_id: NS00066955
pubchem_cid: 149289
smiles: C/C(C)=C/[C@H]1[C@H](C(OCc2cc(Oc3ccccc3)ccc2)=O)C1(C)C
inchi:
InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3/t20-,21+/m0/s1


name: 1-(4-Cyanophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
cas: 66037-07-8
chemspiderid: 4588598
dtxsid: DTXSID20216247
formula: C14H10N4O4
inchikey: NARNFDJIIYAEGN-UHFFFAOYSA-N
norman_susdat_id: NS00035944
pubchem_cid: 102115471
smiles: Oc1cc(ccc1NC(=O)Nc1ccc(cc1)C#N)[N+](=O)[O-]
inchi:
InChI=1S/C14H10N4O4/c15-8-9-1-3-10(4-2-9)16-14(20)17-12-6-5-11(18(21)22)7-13(12)19/h1-7,19H,(H2,16,17,20)


name: Benzoic acid, 2-amino-5-[(4-aminophenyl)methyl]-, ethyl ester
cas: 66037-55-6
chemspiderid: 94946
dtxsid: DTXSID8070384
formula: C16H18N2O2
inchikey: DPCSKJGUTXCIHE-UHFFFAOYSA-N
norman_susdat_id: NS00035945
pubchem_cid: 105253
smiles: CCOC(=O)c1c(N)ccc(Cc2ccc(N)cc2)c1
inchi:
InChI=1S/C16H18N2O2/c1-2-20-16(19)14-10-12(5-8-15(14)18)9-11-3-6-13(17)7-4-11/h3-8,10H,2,9,17-18H2,1H3


name: Tris(2-hydroxyethyl)ammonium ditetradecyl phosphate
cas: 66046-06-8
formula: C28H59O4P.C6H15NO3
inchikey: OMCMSAKOUKZEDS-UHFFFAOYSA-N
norman_susdat_id: NS00087783
smiles: CCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCC.OCC[NH+](CCO)CCO
inchi:
InChI=1/C28H59O4P.C6H15NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-33(29,30)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2;8-4-1-7(2-5-9)3-6-10/h3-28H2,1-2H3,(H,29,30);8-10H,1-6H2


name: Potassium ditetradecyl phosphate
cas: 66046-07-9
formula: C28H59O4P.K
inchikey: NHESRIPTTROEPV-UHFFFAOYSA-M
norman_susdat_id: NS00088237
smiles: [K+].CCCCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCCCC
inchi:
InChI=1/C28H59O4P.K/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-33(29,30)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-28H2,1-2H3,(H,29,30);/q;+1/p-1


name: Phthalic acid, 3,4,5,6-tetrabromo-, compd. with 1,2-ethanediamine (2:1)
cas: 66046-78-4
chemspiderid: 143165
dtxsid: DTXSID0029391
formula: C18H8Br8N2O8
inchikey: KKIHNPPRJOFHCO-UHFFFAOYSA-N
norman_susdat_id: NS00040570
pubchem_cid: 163100
inchi:
InChI=1S/C18H12Br8N2O8/c19-7-3(15(29)30)5(9(21)13(25)11(7)23)17(33)35-27-1-2-28-36-18(34)6-4(16(31)32)8(20)12(24)14(26)10(6)22/h1-2H2,27-28H3,(H,29,30)(H,31,32)

smiles:
[H][N]([H])([H])(CC[N]([H])([H])([H])OC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(O)=O)OC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(O)=O


name: 1H-Isoindole-1,3(2H)-dione, 2,2'-(1,6-hexanediyl)bis[4,5,6,7-tetrachloro-
cas: 66046-85-3
chemspiderid: 143166
dtxsid: DTXSID3070387
formula: C22H12Cl8N2O4
inchikey: LJVGMDOGKIECGY-UHFFFAOYSA-N
norman_susdat_id: NS00035946
pubchem_cid: 163101
smiles: Clc1c2C(=O)N(CCCCCCN3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)C(=O)c2c(Cl)c(Cl)c1Cl
inchi:
InChI=1S/C22H12Cl8N2O4/c23-11-7-8(12(24)16(28)15(11)27)20(34)31(19(7)33)5-3-1-2-4-6-32-21(35)9-10(22(32)36)14(26)18(30)17(29)13(9)25/h1-6H2


name: Guanosine 2',3',5'-tribenzoate
cas: 66048-53-1
dtxsid: DTXSID00984513
formula: C31H25N5O8
inchikey: WZRBAVDJTYIQBI-VBHAUSMQSA-N
norman_susdat_id: NS00054894
pubchem_cid: NA
smiles: O=C(OCC1OC(N2C=NC=3C(=O)NC(=NC32)N)C(OC(=O)C=4C=CC=CC4)C1OC(=O)C=5C=CC=CC5)C=6C=CC=CC6
inchi:
InChI=1/C31H25N5O8/c32-31-34-25-22(26(37)35-31)33-17-36(25)27-24(44-30(40)20-14-8-3-9-15-20)23(43-29(39)19-12-6-2-7-13-19)21(42-27)16-41-28(38)18-10-4-1-5-11-18/h1-15,17,21,23-24,27H,16H2,(H3,32,34,35,37)


name: 1,3-Propanediamine, N-[3-(hexadecyloxy)propyl]-
cas: 66054-26-0
chemspiderid: 96007
dtxsid: DTXSID8070388
formula: C22H48N2O1
inchikey: JKVCENSTXGEMCE-UHFFFAOYSA-N
norman_susdat_id: NS00035947
pubchem_cid: 106671
smiles: CCCCCCCCCCCCCCCCOCCCNCCCN
inchi:
InChI=1S/C22H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-25-22-17-20-24-19-16-18-23/h24H,2-23H2,1H3


name: Pencycuron
cas: 66063-05-6
chebiid: CHEBI:7957
chemspiderid: 82795
dtxsid: DTXSID3042261
formula: C19H21Cl1N2O1
inchikey: OGYFATSSENRIKG-UHFFFAOYSA-N
norman_susdat_id: NS00008459
pubchem_cid: 91692
smiles: Clc1ccc(CN(C2CCCC2)C(=O)Nc2ccccc2)cc1
inchi:
InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)


cas: 66069-32-7
inchikey: KZHCVIBSQJYMDK-JSYANWSFSA-N
norman_susdat_id: NS00078398
smiles: O=C2N1[C@H](C(/O[C@@H]1C2)=C/CO)C([O-])=O.CC(C)(C)CC([NH3+])(C)C
name:
2,4,4-Trimethyl-2-pentanaminium (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate


name: 2,2',2''-[Methanetriyltris(benzene-4,1-diyloxymethanediyl)]trioxirane
cas: 66072-38-6
chemspiderid: 3525864
dtxsid: DTXSID2044971
formula: C28H28O6
inchikey: IGZBSJAMZHNHKE-UHFFFAOYNA-N
norman_susdat_id: NS00020109
pubchem_cid: NA
smiles: C1(C(C3=CC=C(OCC5OC5)C=C3)C2=CC=C(OCC4OC4)C=C2)=CC=C(OCC6OC6)C=C1
inchi:
InChI=1S/C28H28O6/c1-7-22(29-13-25-16-32-25)8-2-19(1)28(20-3-9-23(10-4-20)30-14-26-17-33-26)21-5-11-24(12-6-21)31-15-27-18-34-27/h1-12,25-28H,13-18H2/t25-,26-,27-/m0/s1


cas: 6608-80-6
dtxsid: DTXSID00984573
formula: C21H26ClN3O3S
inchikey: OKLQMPFASOHRNX-UHFFFAOYSA-N
norman_susdat_id: NS00046281
pubchem_cid: 21115727
smiles: O=S(=O)(C1=CC=C(C=C1)N2N=C(C=3C=CC(Cl)=CC3)CC2)CCOCCN(C)C
name:
2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethoxy]ethyl(dimethyl)amine

inchi:
InChI=1/C21H26ClN3O3S/c1-24(2)13-14-28-15-16-29(26,27)20-9-7-19(8-10-20)25-12-11-21(23-25)17-3-5-18(22)6-4-17/h3-10H,11-16H2,1-2H3


cas: 6608-82-8
dtxsid: DTXSID90867588
formula: C22H28ClN3O3S
inchikey: WLROGNWKSOTRSC-UHFFFAOYSA-N
norman_susdat_id: NS00046282
pubchem_cid: 109337
smiles: O=S(=O)(C1=CC=C(C=C1)N2N=C(C=3C=CC(Cl)=CC3)CC2)CCOC(C)CN(C)C
name:
2-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethoxy]-N,N-dimethylpropylamine

inchi:
InChI=1/C22H28ClN3O3S/c1-17(16-25(2)3)29-14-15-30(27,28)21-10-8-20(9-11-21)26-13-12-22(24-26)18-4-6-19(23)7-5-18/h4-11,17H,12-16H2,1-3H3


name: N-(4-sulfamoylphenyl)-1h-indazole-3-carboxamide
cas: 660822-60-6
formula: C14H12N4O3S
inchikey: MNHPHKFLWAPNOV-UHFFFAOYSA-N
norman_susdat_id: NS00071246
pubchem_cid: 9926933
smiles: NS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1
inchi:
InChI=1S/C14H12N4O3S/c15-22(20,21)10-7-5-9(6-8-10)16-14(19)13-11-3-1-2-4-12(11)17-18-13/h1-8H,(H,16,19)(H,17,18)(H2,15,20,21)


name: Isooctadecanoic acid, monoester with glycerol
cas: 66085-00-5
chemspiderid: 2284461
formula: C21H42O4
inchikey: ASKIVFGGGGIGKH-UHFFFAOYSA-N
norman_susdat_id: NS00004917
pubchem_cid: 3016527
smiles: CC(C)CCCCCCCCCCCCCCC(=O)OCC(O)CO
inchi:
InChI=1S/C21H42O4/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(24)25-18-20(23)17-22/h19-20,22-23H,3-18H2,1-2H3


name: Nimodipine
cas: 66085-59-4
chebiid: CHEBI:7575
chemspiderid: 4341
dtxsid: DTXSID5023370
formula: C21H26N2O7
inchikey: UIAGMCDKSXEBJQ-UHFFFAOYSA-N
norman_susdat_id: NS00006836
pubchem_cid: 4497
smiles: COCCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C
inchi:
InChI=1S/C21H26N2O7/c1-12(2)30-21(25)18-14(4)22-13(3)17(20(24)29-10-9-28-5)19(18)15-7-6-8-16(11-15)23(26)27/h6-8,11-12,19,22H,9-10H2,1-5H3


name: 1,1'-[(phenylmethylene)bis[(2-methyl-4,1-phenylene)azo]]bis(2-naphthol)
cas: 66085-68-5
dtxsid: DTXSID7070391
formula: C41H32N4O2
inchikey: WMIMXCPQTYMGDN-UHFFFAOYSA-N
norman_susdat_id: NS00056287
pubchem_cid: 105259
smiles: OC=1C=CC=2C=CC=CC2C1N=NC3=CC=C(C=C3C)C(C=4C=CC=CC4)C5=CC=C(N=NC6=C(O)C=CC=7C=CC=CC76)C(=C5)C
inchi:
InChI=1/C41H32N4O2/c1-26-24-31(16-20-35(26)42-44-40-33-14-8-6-10-28(33)18-22-37(40)46)39(30-12-4-3-5-13-30)32-17-21-36(27(2)25-32)43-45-41-34-15-9-7-11-29(34)19-23-38(41)47/h3-25,39,46-47H,1-2H3


cas: 66085-69-6
dtxsid: DTXSID90886794
formula: C41H36N8O2
inchikey: JXOIXQXLVIJCPN-UHFFFAOYSA-N
norman_susdat_id: NS00055410
pubchem_cid: 21117992
name:
4,4'-[(phenylmethylene)bis[(2-methyl-p-phenylene)azo]]bis[2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one]

inchi:
InChI=1/C41H36N8O2/c1-26-24-31(42-44-38-28(3)46-48(40(38)50)33-16-10-6-11-17-33)20-22-35(26)37(30-14-8-5-9-15-30)36-23-21-32(25-27(36)2)43-45-39-29(4)47-49(41(39)51)34-18-12-7-13-19-34/h5-25,37-39H,1-4H3

smiles:
O=C1N(N=C(C)C1N=NC2=CC=C(C(=C2)C)C(C=3C=CC=CC3)C4=CC=C(N=NC5C(=O)N(N=C5C)C=6C=CC=CC6)C=C4C)C=7C=CC=CC7


cas: 66085-70-9
dtxsid: DTXSID50886795
formula: C42H34N4O2
inchikey: QKBDUVOVAJJXGL-UHFFFAOYSA-N
norman_susdat_id: NS00056288
pubchem_cid: 105261
smiles: OC=1C=CC=2C=CC=CC2C1N=NC3=CC=C(C=C3C)C(C=4C=CC=CC4)C5=CC(=C(N=NC6=C(O)C=CC=7C=CC=CC76)C=C5C)C
name:
1-[[4-[[4-[(2-hydroxy-1-naphthyl)azo]-2,5-dimethylphenyl]phenylmethyl]-2-methylphenyl]azo]-2-naphthol

inchi:
InChI=1/C42H34N4O2/c1-26-25-37(44-46-42-34-16-10-8-12-30(34)19-22-39(42)48)28(3)24-35(26)40(31-13-5-4-6-14-31)32-17-20-36(27(2)23-32)43-45-41-33-15-9-7-11-29(33)18-21-38(41)47/h4-25,40,47-48H,1-3H3


cas: 66085-71-0
chemspiderid: 4941682
dtxsid: DTXSID2070392
formula: C42H46N14O10S2
inchikey: FYHAKIYWVTVEOS-VAWYXSNFSA-N
norman_susdat_id: NS00003511
pubchem_cid: 6437098
name:
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(3-amino-3-oxopropyl)(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-

inchi:
InChI=1S/C42H46N14O10S2/c43-35(59)17-19-55(21-23-57)41-51-37(45-29-7-3-1-4-8-29)49-39(53-41)47-31-15-13-27(33(25-31)67(61,62)63)11-12-28-14-16-32(26-34(28)68(64,65)66)48-40-50-38(46-30-9-5-2-6-10-30)52-42(54-40)56(22-24-58)20-18-36(44)60/h1-16,25-26,57-58H,17-24H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H2,45,47,49,51,53)(H2,46,48,50,52,54)/b12-11+

smiles:
NC(=O)CCN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(n4)N(CCO)CCC(N)=O)cc3S(O)(=O)=O)c(c2)S(O)(=O)=O)n1


name: Undeca-3,7-diene-1,3,7,11-tetracarbaldehyde
cas: 660857-68-1
dtxsid: DTXSID10797974
formula: C15H20O4
inchikey: WRPMDTWVLJJHMV-IMOXEJQSSA-N
norman_susdat_id: NS00073047
pubchem_cid: 21363450
smiles: O=CCCC/C=C(C=O)CC/C=C(C=O)CCC=O
inchi:
InChI=1S/C15H20O4/c16-10-3-1-2-6-14(12-18)7-4-8-15(13-19)9-5-11-17/h6,8,10-13H,1-5,7,9H2/b14-6-,15-8-


cas: 66096-03-5
dtxsid: DTXSID40984592
formula: C33H50N2O9S2
inchikey: LBTKPLRRQHGCRH-UHFFFAOYSA-N
norman_susdat_id: NS00054933
pubchem_cid: 3017646
smiles: O=C(NC1=CC(=CC=C1OCCCCCCCCCCCCCCCC)S(=O)(=O)NC)CC(=O)C2=CC=C(OC)C(=C2)S(=O)(=O)O
name:
5-[3-[[2-(hexadecyloxy)-5-[(methylamino)sulphonyl]phenyl]amino]-1,3-dioxopropyl]-2-methoxybenzenesulphonic acid

inchi:
InChI=1/C33H50N2O9S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-44-30-21-19-27(45(38,39)34-2)24-28(30)35-33(37)25-29(36)26-18-20-31(43-3)32(23-26)46(40,41)42/h18-21,23-24,34H,4-17,22,25H2,1-3H3,(H,35,37)(H,40,41,42)


cas: 66096-08-0
formula: C27H33N2O3S3
inchikey: GUNWUUGCMQOMAX-UHFFFAOYSA-N
norman_susdat_id: NS00055411
pubchem_cid: NA
smiles: O=S(=O)([O-])CCC[N+]1=C(SC=2C=C(C(=CC21)C)C)C=C(C=C3SC4=CC=C(C=C4N3CC)C)CC
name:
2-[2-[(3-ethyl-5-methylbenzothiazol-2(3H)-ylidene)methyl]but-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium

inchi:
InChI=1/C27H32N2O3S3/c1-6-21(16-26-28(7-2)22-13-18(3)9-10-24(22)33-26)17-27-29(11-8-12-35(30,31)32)23-14-19(4)20(5)15-25(23)34-27/h9-10,13-17H,6-8,11-12H2,1-5H3


name: Dipotassium 4-[(3-oxobenzo[b]thien-2(3H)-ylidene)methyl]benzene-1,3-disulphonate
cas: 66096-13-7
dtxsid: DTXSID7070393
formula: C15H10O7S3
inchikey: AIBIVZAIWJQMFK-UHFFFAOYSA-L
norman_susdat_id: NS00056289
pubchem_cid: 105264
smiles: [K+].[K+].O=C1C(SC=2C=CC=CC12)=CC3=CC=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C15H10O7S3.2K/c16-15-11-3-1-2-4-12(11)23-13(15)7-9-5-6-10(24(17,18)19)8-14(9)25(20,21)22;;/h1-8H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2


name: Sodium (Z)-hexadec-9-enoate
cas: 6610-24-8
formula: C16H30O2.Na
inchikey: AQADNICIQOBXGR-CFYXSCKTSA-M
norman_susdat_id: NS00081741
smiles: [Na+].CCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/C16H30O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h7-8H,2-6,9-15H2,1H3,(H,17,18);/q;+1/p-1


name: Pergolide
cas: 66104-23-2
chebiid: CHEBI:63617
chemspiderid: 43503
dtxsid: DTXSID2023438
formula: C19H26N2S
inchikey: YEHCICAEULNIGD-MZMPZRCHSA-N
norman_susdat_id: NS00098765
pubchem_cid: 47811
smiles: CCCN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)CSC
inchi:
InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1


name: 3-[(4-methoxyphenyl)azo]pyridine-2,6-diamine monohydrochloride
cas: 66104-36-7
dtxsid: DTXSID7070395
formula: C12H13N5O
inchikey: GGUMLCXZZFPUHA-UHFFFAOYSA-N
norman_susdat_id: NS00056331
pubchem_cid: 105268
smiles: Cl.N(=NC1=CC=C(N=C1N)N)C2=CC=C(OC)C=C2
inchi:
InChI=1/C12H13N5O.ClH/c1-18-9-4-2-8(3-5-9)16-17-10-6-7-11(13)15-12(10)14;/h2-7H,1H3,(H4,13,14,15);1H


name: Barium abietate
cas: 66104-41-4
formula: C20H30O2.1/2Ba
inchikey: ZQGVSNSRNASLMU-JHZYRPMRSA-L
norman_susdat_id: NS00088300
inchi:
InChI=1/2C20H30O2.Ba/c2*1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h2*7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;;+2/p-2

smiles:
[Ba+2].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1.CC(C)C4=CC5=CC[C@@H]6[C@](C)(CCC[C@@]6(C)C(=O)[O-])[C@H]5CC4


name: Disodium N-[(p-tolyl)sulphonyl]-L-glutamate
cas: 66104-42-5
formula: C12H15NO6S.2Na
inchikey: HEBHJTRJCWUUQW-XRIOVQLTSA-L
norman_susdat_id: NS00087835
smiles: [Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C12H15NO6S.2Na/c1-8-2-4-9(5-3-8)20(18,19)13-10(12(16)17)6-7-11(14)15;;/h2-5,10,13H,6-7H2,1H3,(H,14,15)(H,16,17);;/q;2*+1/p-2


name: Disodium 4-[[4-[(sulphonatomethyl)amino]phenyl]azo]benzenesulphonate
cas: 66104-43-6
formula: C13H13N3O6S2
inchikey: NMFOJQBHWJIIEY-UHFFFAOYSA-L
norman_susdat_id: NS00056332
pubchem_cid: 11970546
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(C=C2)NCS(=O)(=O)[O-])C=C1
inchi:
InChI=1/C13H13N3O6S2.2Na/c17-23(18,19)9-14-10-1-3-11(4-2-10)15-16-12-5-7-13(8-6-12)24(20,21)22;;/h1-8,14H,9H2,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2


name: 3-[(3,4-dimethylphenyl)azo]pyridine-2,6-diamine monohydrochloride
cas: 66104-46-9
dtxsid: DTXSID7070397
formula: C13H15N5
inchikey: KSJLLAQYHMTBGF-UHFFFAOYSA-N
norman_susdat_id: NS00055347
pubchem_cid: 105271
smiles: Cl.N(=NC1=CC=C(N=C1N)N)C2=CC=C(C(=C2)C)C
inchi:
InChI=1/C13H15N5.ClH/c1-8-3-4-10(7-9(8)2)17-18-11-5-6-12(14)16-13(11)15;/h3-7H,1-2H3,(H4,14,15,16);1H


name: (Z)-2-Butenedioic acid 1-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] ester
cas: 66104-67-4
chemspiderid: 4942105
dtxsid: DTXSID1041398
formula: C22H40O7
inchikey: LSDNCMFQVGKKGP-SEYXRHQNSA-N
norman_susdat_id: NS00035955
pubchem_cid: 6437561
smiles: CCCCCCCCCCCCOCCOCCOCCOC(=O)/C=C/C(=O)O
inchi:
InChI=1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-14-26-15-16-27-17-18-28-19-20-29-22(25)13-12-21(23)24/h12-13H,2-11,14-20H2,1H3,(H,23,24)/b13-12+


name: Benzoyl chloride, 4-(hexadecylamino)-
cas: 66104-71-0
chemspiderid: 94967
dtxsid: DTXSID4070405
formula: C23H38Cl1N1O1
inchikey: PTHLFCDJLPZHJW-UHFFFAOYSA-N
norman_susdat_id: NS00035956
pubchem_cid: 105282
smiles: CCCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)Cl
inchi:
InChI=1S/C23H38ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-25-22-18-16-21(17-19-22)23(24)26/h16-19,25H,2-15,20H2,1H3


name: Dilithium disodium 4,4'-bis[(4-hydroxyphenyl)azo]stilbene-2,2'-disulphonate
cas: 66104-72-1
formula: C26H20N4O8S2.2Li.2Na
inchikey: LSNJRGPCWTWQNH-FJACBPOMSA-L
norman_susdat_id: NS00087595
inchi:
InChI=1/C26H20N4O8S2.2Li.2Na/c31-23-11-7-19(8-12-23)27-29-21-5-3-17(25(15-21)39(33,34)35)1-2-18-4-6-22(16-26(18)40(36,37)38)30-28-20-9-13-24(32)14-10-20;;;;/h1-16,31-32H,(H,33,34,35)(H,36,37,38);;;;/q;4*+1/p-2

smiles:
[Li+].[Li+].[Na+].[Na+].Oc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(O)cc1)cc2S([O-])(=O)=O)c(c3)S([O-])(=O)=O)cc4


cas: 66104-73-2
formula: C27H19ClN4O5S
inchikey: COOWXSUBTWEXRC-UHFFFAOYSA-N
norman_susdat_id: NS00055881
pubchem_cid: 105283
smiles: O=C(OC=1C=C(C=2C=CC=CC2C1N=NC3C(=O)N(N=C3C)C=4C=CC=CC4)S(=O)(=O)Cl)C=5C=CC=CC5
name:
3-(benzoyloxy)-4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]naphthalene-1-sulphonyl chloride

inchi:
InChI=1/C27H19ClN4O5S/c1-17-24(26(33)32(31-17)19-12-6-3-7-13-19)29-30-25-21-15-9-8-14-20(21)23(38(28,35)36)16-22(25)37-27(34)18-10-4-2-5-11-18/h2-16,24H,1H3


name: (R*,R*)-(Â±)-5-amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthaldiamide
cas: 66108-89-2
chemspiderid: 8570452
formula: C14H18I3N3O6
inchikey: KAEGSAWWVYMWIQ-UHFFFAOYSA-N
norman_susdat_id: NS00006208
pubchem_cid: 10395011
smiles: Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
inchi:
InChI=1S/C14H18I3N3O6/c15-9-7(13(25)19-1-5(23)3-21)10(16)12(18)11(17)8(9)14(26)20-2-6(24)4-22/h5-6,21-24H,1-4,18H2,(H,19,25)(H,20,26)


name: Iohexol
cas: 66108-95-0
chebiid: CHEBI:31709
chemspiderid: 3599
dtxsid: DTXSID6023157
formula: C19H26I3N3O9
inchikey: NTHXOOBQLCIOLC-UHFFFAOYSA-N
norman_susdat_id: NS00000223
pubchem_cid: 3730
smiles: OCC(O)CNC(=O)c1c(I)c(N(CC(O)CO)C(C)=O)c(I)c(c1I)C(=O)NCC(O)CO
inchi:
InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)


name: Tris(bicyclo[2.2.1]hept-5-en-2-ylmethoxy)phosphine
cas: 66119-40-2
dtxsid: DTXSID50984604
formula: C24H33O3P
inchikey: GUFZRRVHTRKMNB-UHFFFAOYSA-N
norman_susdat_id: NS00054986
pubchem_cid: 105285
smiles: O(P(OCC1CC2C=CC1C2)OCC3CC4C=CC3C4)CC5CC6C=CC5C6
inchi:
InChI=1/C24H33O3P/c1-4-19-7-16(1)10-22(19)13-25-28(26-14-23-11-17-2-5-20(23)8-17)27-15-24-12-18-3-6-21(24)9-18/h1-6,16-24H,7-15H2


name: 2-methyl-5-phenyl-3-(3-sulphonatopropyl)benzoxazolium
cas: 66142-15-2
dtxsid: DTXSID4070407
formula: C17H18NO4S
inchikey: DKMBQSTXNOURJD-UHFFFAOYSA-N
norman_susdat_id: NS00054607
pubchem_cid: 105286
smiles: O=S(=O)([O-])CCC[N+]=1C2=CC(=CC=C2OC1C)C=3C=CC=CC3
inchi:
InChI=1/C17H17NO4S/c1-13-18(10-5-11-23(19,20)21)16-12-15(8-9-17(16)22-13)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3


name: N-(4-amino-5-chloro-2-hydroxyphenyl)benzamide monohydrochloride
cas: 66142-16-3
dtxsid: DTXSID9070408
formula: C13H11ClN2O2
inchikey: GJADIVUMAAFRLV-UHFFFAOYSA-N
norman_susdat_id: NS00055060
pubchem_cid: 78779
smiles: Cl.O=C(NC=1C=C(Cl)C(N)=CC1O)C=2C=CC=CC2
inchi:
InChI=1/C13H11ClN2O2.ClH/c14-9-6-11(12(17)7-10(9)15)16-13(18)8-4-2-1-3-5-8;/h1-7,17H,15H2,(H,16,18);1H


name: 4-ethoxy-2-(4-methoxyphenyl)-1-benzopyrylium hexafluorophosphate(1-)
cas: 66142-19-6
dtxsid: DTXSID50886775
formula: C18H17O3
inchikey: UMMWXOASWRTVFO-UHFFFAOYSA-N
norman_susdat_id: NS00054608
pubchem_cid: 90474558
smiles: F[P-](F)(F)(F)(F)F.O(C=1C=CC(=CC1)C2=[O+]C=3C=CC=CC3C(OCC)=C2)C
inchi:
InChI=1/C18H17O3.F6P/c1-3-20-18-12-17(13-8-10-14(19-2)11-9-13)21-16-7-5-4-6-15(16)18;1-7(2,3,4,5)6/h4-12H,3H2,1-2H3;/q+1;-1


name: 4-ethoxy-2-(4-methoxyphenyl)-1-benzopyrylium methylsulphonate
cas: 66142-20-9
formula: C18H17O3.CH3O3S
inchikey: RLLQIXSMDRZZOJ-UHFFFAOYSA-M
norman_susdat_id: NS00087392
smiles: CCOc1cc([o+]c2ccccc12)c3ccc(OC)cc3.CS(=O)(=O)[O-]
inchi:
InChI=1/C18H17O3.CH4O3S/c1-3-20-18-12-17(13-8-10-14(19-2)11-9-13)21-16-7-5-4-6-15(16)18;1-5(2,3)4/h4-12H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


name: 4-methoxy-2-(4-methoxyphenyl)-1-benzopyrylium methyl sulphate
cas: 66142-21-0
dtxsid: DTXSID10886776
formula: C17H15O3
inchikey: ICMZUJFDLZSYOS-UHFFFAOYSA-M
norman_susdat_id: NS00055061
pubchem_cid: 105291
smiles: O=S(=O)([O-])OC.O(C=1C=CC(=CC1)C2=[O+]C=3C=CC=CC3C(OC)=C2)C
inchi:
InChI=1/C17H15O3.CH4O4S/c1-18-13-9-7-12(8-10-13)16-11-17(19-2)14-5-3-4-6-15(14)20-16;1-5-6(2,3)4/h3-11H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


name: Ethyl 3-ethyl-2-methylbenzoselenazolium sulphate
cas: 66142-22-1
formula: C10H12NSe.C2H5O4S
inchikey: NQTXUORNNRFCKQ-UHFFFAOYSA-M
norman_susdat_id: NS00088116
smiles: CCOS(=O)(=O)[O-].CC[N+]1=C(C)[Se]c2ccccc12
inchi:
InChI=1/C10H12NSe.C2H6O4S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-2-6-7(3,4)5/h4-7H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: C18 Alcohol, predominately linear, 7 EO
cas: 66146-84-7
chemspiderid: 158108
dtxsid: DTXSID90216335
formula: C32H66O8
inchikey: DXFSRFBWOGMMJP-UHFFFAOYSA-N
norman_susdat_id: NS00095680
pubchem_cid: 181780
smiles: OCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C32H66O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-34-21-23-36-25-27-38-29-31-40-32-30-39-28-26-37-24-22-35-20-18-33/h33H,2-32H2,1H3


cas: 661476-41-1
norman_susdat_id: NS00112988
name:
Polydimethylsiloxane, 3-aminopropyl terminated, polymer with 1-isocyanato-3-isocyanatomethyl-3,5,5-trimethylcyclohexane


cas: 661476-43-3
dtxsid: DTXSID00883072
norman_susdat_id: NS00108930
name:
Butanoic acid, 2,2,3,3,4,4-hexafluoro-4-[(trifluoroethenyl)oxy]-, methyl ester, homopolymer, hydrolyzed


name: Temocillin
cas: 66148-78-5
chebiid: CHEBI:51817
formula: C16H18N2O7S2
inchikey: BVCKFLJARNKCSS-DWPRYXJFSA-N
norman_susdat_id: NS00100729
smiles: CO[C@]1(NC(=O)C(C(=O)O)c2ccsc2)[C@H]3SC(C)(C)[C@@H](N3C1=O)C(=O)O
inchi:
InChI=1/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)


name: 11alpha-Hydroxy-estr-4-ene-3,17-dione
cas: 6615-00-5
chemspiderid: 9077558
dtxsid: DTXSID70447807
formula: C18H24O3
inchikey: VDCOSJPGDDQNJH-UHFFFAOYSA-N
norman_susdat_id: NS00008660
pubchem_cid: 13339385
smiles: CC12CC(O)C3C(CCC4=CC(=O)CCC34)C1CCC2=O
inchi:
InChI=1S/C18H24O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h8,12-15,17,20H,2-7,9H2,1H3


name: (Z)-octadec-9-enyl docosanoate
cas: 66161-52-2
chebiid: CHEBI:165697
dtxsid: DTXSID30886798
formula: C40H78O2
inchikey: AOXNDJKHXBKZBT-ZZEZOPTASA-N
norman_susdat_id: NS00055062
pubchem_cid: 6437101
smiles: O=C(OCCCCCCCCC=CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C40H78O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-39H2,1-2H3


name: Dodecanamide, N-[3-(4-morpholinyl)propyl]-
cas: 66161-53-3
chemspiderid: 94979
dtxsid: DTXSID8070411
formula: C19H38N2O2
inchikey: QKJRNVLZJXENQW-UHFFFAOYSA-N
norman_susdat_id: NS00035959
pubchem_cid: 105296
smiles: CCCCCCCCCCCC(=O)NCCCN1CCOCC1
inchi:
InChI=1S/C19H38N2O2/c1-2-3-4-5-6-7-8-9-10-12-19(22)20-13-11-14-21-15-17-23-18-16-21/h2-18H2,1H3,(H,20,22)


name: Tetradecanamide, N-[3-(4-morpholinyl)propyl]-
cas: 66161-54-4
chemspiderid: 94980
dtxsid: DTXSID3070412
formula: C21H42N2O2
inchikey: SGMPITCSYKANAI-UHFFFAOYSA-N
norman_susdat_id: NS00035960
pubchem_cid: 105297
smiles: CCCCCCCCCCCCCC(=O)NCCCN1CCOCC1
inchi:
InChI=1S/C21H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-21(24)22-15-13-16-23-17-19-25-20-18-23/h2-20H2,1H3,(H,22,24)


name: N-(3-morpholinopropyl)dodecanamide N-oxide
cas: 66161-55-5
dtxsid: DTXSID8070413
formula: C19H38N2O3
inchikey: ULDUBVVSNLZVIZ-UHFFFAOYSA-N
norman_susdat_id: NS00054988
pubchem_cid: 21117997
smiles: O=C(CCCCCCCCCCC)[NH+]([O-])CCCN1CCOCC1
inchi:
InChI=1/C19H38N2O3/c1-2-3-4-5-6-7-8-9-10-12-19(22)21(23)14-11-13-20-15-17-24-18-16-20/h21H,2-18H2,1H3


name: N-(3-morpholinopropyl)myristamide N-oxide
cas: 66161-56-6
dtxsid: DTXSID3070414
formula: C21H42N2O3
inchikey: JHJNGJJMRVIPKX-UHFFFAOYSA-N
norman_susdat_id: NS00054989
pubchem_cid: 21117999
smiles: O=C(CCCCCCCCCCCCC)[NH+]([O-])CCCN1CCOCC1
inchi:
InChI=1/C21H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-21(24)23(25)16-13-15-22-17-19-26-20-18-22/h23H,2-20H2,1H3


name: Sodium 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatetracontyl sulphate
cas: 66161-57-7
dtxsid: DTXSID8070415
formula: C36H74O16S
inchikey: AGMRJQXCAJZJNK-UHFFFAOYSA-M
norman_susdat_id: NS00055936
pubchem_cid: 105301
smiles: [Na+].O=S(=O)([O-])OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCC
inchi:
InChI=1/C36H74O16S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-40-13-14-41-15-16-42-17-18-43-19-20-44-21-22-45-23-24-46-25-26-47-27-28-48-29-30-49-31-32-50-33-34-51-35-36-52-53(37,38)39;/h2-36H2,1H3,(H,37,38,39);/q;+1/p-1


name: Sodium 3,6,9,12-tetraoxapentacosyl sulphate
cas: 66161-58-8
dtxsid: DTXSID40984638
formula: C21H44O8S
inchikey: VKSOIUJNYKLRSM-UHFFFAOYSA-M
norman_susdat_id: NS00054990
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])OCCOCCOCCOCCOCCCCCCCCCCCCC
inchi:
InChI=1/C21H44O8S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-25-14-15-26-16-17-27-18-19-28-20-21-29-30(22,23)24;/h2-21H2,1H3,(H,22,23,24);/q;+1/p-1


name: Bis(2-hydroxypropyl)ammonium decyl sulphate
cas: 66161-59-9
formula: C12H26O4S.C6H15NO2
inchikey: YRRFCSVNFWYWSK-UHFFFAOYSA-N
norman_susdat_id: NS00087393
smiles: CCCCCCCCCCOS(=O)(=O)[O-].CC(O)C[NH2+]CC(C)O
inchi:
InChI=1/C10H22O4S.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;1-5(8)3-7-4-6(2)9/h2-10H2,1H3,(H,11,12,13);5-9H,3-4H2,1-2H3


name: Decyl hydrogen sulphate, compound with 1,1',1''-nitrilotripropan-2-ol
cas: 66161-60-2
formula: C12H26O4S.C9H21NO3
inchikey: OGWGSSCKFORIGO-UHFFFAOYSA-N
norman_susdat_id: NS00087674
smiles: CCCCCCCCCCOS(=O)(=O)O.CC(O)CN(CC(C)O)CC(C)O
inchi:
InChI=1/C10H22O4S.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;1-7(11)4-10(5-8(2)12)6-9(3)13/h2-10H2,1H3,(H,11,12,13);7-9,11-13H,4-6H2,1-3H3


name: 3,6,9,12,15,18,21,24-Octaoxaheptatriacontanoic acid
cas: 66161-61-3
chemspiderid: 94987
dtxsid: DTXSID3070416
formula: C29H58O10
inchikey: XBMLLJLGCSRVNC-UHFFFAOYSA-N
norman_susdat_id: NS00035961
pubchem_cid: 105304
smiles: CCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)O
inchi:
InChI=1S/C29H58O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-32-14-15-33-16-17-34-18-19-35-20-21-36-22-23-37-24-25-38-26-27-39-28-29(30)31/h2-28H2,1H3,(H,30,31)


name: Sodium lauroamphoacetate
cas: 66161-62-4
chemspiderid: 94988
dtxsid: DTXSID8070417
formula: C18H36N2O4
inchikey: HVFAVOFILADWEZ-UHFFFAOYSA-M
norman_susdat_id: NS00022637
pubchem_cid: NA
smiles: [Na+].CCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)[O-]
inchi:
InChI=1S/C18H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-17(22)19-12-13-20(14-15-21)16-18(23)24/h21H,2-16H2,1H3,(H,19,22)(H,23,24)


name: Dodecanamide, N-[3-[bis(2-hydroxyethyl)amino]propyl]-
cas: 66161-63-5
chemspiderid: 150152
dtxsid: DTXSID3070418
formula: C19H40N2O3
inchikey: OQRZKRYPYZNLFV-UHFFFAOYSA-N
norman_susdat_id: NS00035962
pubchem_cid: 171762
smiles: CCCCCCCCCCCC(=O)NCCCN(CCO)CCO
inchi:
InChI=1S/C19H40N2O3/c1-2-3-4-5-6-7-8-9-10-12-19(24)20-13-11-14-21(15-17-22)16-18-23/h22-23H,2-18H2,1H3,(H,20,24)


name: Tetradecanamide, N-[3-[bis(2-hydroxyethyl)amino]propyl]-
cas: 66161-64-6
chemspiderid: 94989
dtxsid: DTXSID8070419
formula: C21H44N2O3
inchikey: VNRVRVIRWRSXJY-UHFFFAOYSA-N
norman_susdat_id: NS00035963
pubchem_cid: 105306
smiles: CCCCCCCCCCCCCC(=O)NCCCN(CCO)CCO
inchi:
InChI=1S/C21H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-21(26)22-15-13-16-23(17-19-24)18-20-25/h24-25H,2-20H2,1H3,(H,22,26)


name: Hexadecanamide, N-[3-[bis(2-hydroxyethyl)amino]propyl]-
cas: 66161-65-7
chemspiderid: 94990
dtxsid: DTXSID7070420
formula: C23H48N2O3
inchikey: ODOPLSJHUSYCFN-UHFFFAOYSA-N
norman_susdat_id: NS00035964
pubchem_cid: 105307
smiles: CCCCCCCCCCCCCCCC(=O)NCCCN(CCO)CCO
inchi:
InChI=1S/C23H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23(28)24-17-15-18-25(19-21-26)20-22-27/h26-27H,2-22H2,1H3,(H,24,28)


name: N-[3-[bis(2-hydroxyethyl)amino]propyl]dodecanamide N-oxide
cas: 66161-66-8
dtxsid: DTXSID2070421
formula: C19H40N2O4
inchikey: YBESNJCTZXEOCP-UHFFFAOYSA-N
norman_susdat_id: NS00054991
pubchem_cid: 21118003
smiles: O=C(CCCCCCCCCCC)[NH+]([O-])CCCN(CCO)CCO
inchi:
InChI=1/C19H40N2O4/c1-2-3-4-5-6-7-8-9-10-12-19(24)21(25)14-11-13-20(15-17-22)16-18-23/h21-23H,2-18H2,1H3


name: N-[3-[bis(2-hydroxyethyl)amino]propyl]myristamide N-oxide
cas: 66161-67-9
dtxsid: DTXSID7070422
formula: C21H44N2O4
inchikey: ZHHNEZRUILOOFE-UHFFFAOYSA-N
norman_susdat_id: NS00055955
pubchem_cid: 21118005
smiles: O=C(CCCCCCCCCCCCC)[NH+]([O-])CCCN(CCO)CCO
inchi:
InChI=1/C21H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-21(26)23(27)16-13-15-22(17-19-24)18-20-25/h23-25H,2-20H2,1H3


name: N-[3-[bis(2-hydroxyethyl)amino]propyl]palmitamide N-oxide
cas: 66161-68-0
dtxsid: DTXSID2070423
formula: C23H48N2O4
inchikey: YNKFFAVGNYZWBH-UHFFFAOYSA-N
norman_susdat_id: NS00055063
pubchem_cid: 21118007
smiles: O=C(CCCCCCCCCCCCCCC)[NH+]([O-])CCCN(CCO)CCO
inchi:
InChI=1/C23H48N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23(28)25(29)18-15-17-24(19-21-26)20-22-27/h25-27H,2-22H2,1H3


name: N-[3-[bis(2-hydroxyethyl)amino]propyl]stearamide N-oxide
cas: 66161-69-1
dtxsid: DTXSID7070424
formula: C25H52N2O4
inchikey: MVKAQWKYTBTJQP-UHFFFAOYSA-N
norman_susdat_id: NS00055064
pubchem_cid: 21118009
smiles: O=C(CCCCCCCCCCCCCCCCC)[NH+]([O-])CCCN(CCO)CCO
inchi:
InChI=1/C25H52N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(30)27(31)20-17-19-26(21-23-28)22-24-29/h27-29H,2-24H2,1H3


name: N-desmethyl loperamide
cas: 66164-07-6
chebiid: CHEBI:64043
chemspiderid: 7981704
dtxsid: DTXSID70430956
formula: C28H31Cl1N2O2
inchikey: ZMOPTLXEYOVARP-UHFFFAOYSA-N
norman_susdat_id: NS00007132
pubchem_cid: 9805944
smiles: CN=C(O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)


name: 4,4'-(Isopropylidene)bis(2,6-dibromo-alpha-(pentabromophenyl)anisole)
cas: 66165-57-9
chemspiderid: 4957539
dtxsid: DTXSID90216355
formula: C29H14Br14O2
inchikey: CAGMCUQGHVJVQG-UHFFFAOYSA-N
norman_susdat_id: NS00035965
pubchem_cid: 6455269
smiles: CC(C)(c1cc(Br)c(OCc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1)c1cc(Br)c(OCc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1
inchi:
InChI=1S/C29H14Br14O2/c1-29(2,9-3-13(30)27(14(31)4-9)44-7-11-17(34)21(38)25(42)22(39)18(11)35)10-5-15(32)28(16(33)6-10)45-8-12-19(36)23(40)26(43)24(41)20(12)37/h3-6H,7-8H2,1-2H3


name: 3-(2,3-dihydroxypropoxy)-2-hydroxypropyl stearate
cas: 66168-54-5
dtxsid: DTXSID10984645
formula: C24H48O6
inchikey: DUUKZBGYNMHUHO-UHFFFAOYSA-N
norman_susdat_id: NS00054651
pubchem_cid: 9954527
smiles: O=C(OCC(O)COCC(O)CO)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)30-21-23(27)20-29-19-22(26)18-25/h22-23,25-27H,2-21H2,1H3


name: Hexadecyl nicotinate
cas: 66170-39-6
chemspiderid: 94996
dtxsid: DTXSID70216358
formula: C22H37N1O2
inchikey: SIYPIMGFUQHRFF-UHFFFAOYSA-N
norman_susdat_id: NS00035967
pubchem_cid: 105313
smiles: CCCCCCCCCCCCCCCCOC(=O)c1cccnc1
inchi:
InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25-22(24)21-17-16-18-23-20-21/h16-18,20H,2-15,19H2,1H3


cas: 66172-62-1
formula: C26H28F3N3O5S
inchikey: UBDOGAFJORCNGW-UHFFFAOYSA-N
norman_susdat_id: NS00055105
pubchem_cid: 54344246
smiles: N#CC(=CC1=CC=C(C=C1C)N(CC(=O)OCC(F)(F)F)CC)C(=O)C2=CC=C(C=C2)NS(=O)(=O)CCC
name:
2,2,2-trifluoroethyl N-[4-[2-cyano-3-oxo-3-[4-[(propylsulphonyl)amino]phenyl]-1-propenyl]-m-tolyl]-N-ethylglycinate

inchi:
InChI=1/C26H28F3N3O5S/c1-4-12-38(35,36)31-22-9-6-19(7-10-22)25(34)21(15-30)14-20-8-11-23(13-18(20)3)32(5-2)16-24(33)37-17-26(27,28)29/h6-11,13-14,31H,4-5,12,16-17H2,1-3H3


cas: 66172-63-2
formula: C28H33N3O7S
inchikey: RPYPDSDGLZSREJ-UHFFFAOYSA-N
norman_susdat_id: NS00055106
pubchem_cid: 54279727
smiles: N#CC(=CC1=CC=C(C=C1C)N(CC(=O)OC(C)C)CC(=O)OC(C)C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C
name:
Isopropyl N-[4-[2-cyano-3-[4-[(methylsulphonyl)amino]phenyl]-3-oxo-1-propenyl]-m-tolyl]-N-[2-(1-methylethoxy)-2-oxoethyl]glycinate

inchi:
InChI=1/C28H33N3O7S/c1-18(2)37-26(32)16-31(17-27(33)38-19(3)4)25-12-9-22(20(5)13-25)14-23(15-29)28(34)21-7-10-24(11-8-21)30-39(6,35)36/h7-14,18-19,30H,16-17H2,1-6H3


name: 3,6,9,12,15,18-Hexaoxaeicosan-1-ol, 20-(dinonylphenoxy)-, dihydrogen phosphate
cas: 66172-78-9
chemspiderid: 94997
dtxsid: DTXSID2070425
formula: C38H71O11P1
inchikey: YXRORYCCMLOKDX-UHFFFAOYSA-N
norman_susdat_id: NS00013906
pubchem_cid: 105314
smiles: CCCCCCCCCc1cccc(CCCCCCCCC)c1OCCOCCOCCOCCOCCOCCOCCO[P](O)(O)=O
inchi:
InChI=1S/C38H71O11P/c1-3-5-7-9-11-13-15-18-36-20-17-21-37(19-16-14-12-10-8-6-4-2)38(36)48-34-32-46-30-28-44-26-24-42-22-23-43-25-27-45-29-31-47-33-35-49-50(39,40)41/h17,20-21H,3-16,18-19,22-35H2,1-2H3,(H2,39,40,41)


name: 3,6,9,12,15-Pentaoxaheptadecan-1-ol, 17-(nonylphenoxy)-, hydrogen phosphate
cas: 66172-79-0
chemspiderid: 94998
dtxsid: DTXSID7070426
formula: C54H95O16P1
inchikey: CXJNUUJXSIVKDP-UHFFFAOYSA-N
norman_susdat_id: NS00035968
pubchem_cid: 105315
smiles: CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOP(=O)(O)OCCOCCOCCOCCOCCOCCOc1c(CCCCCCCCC)cccc1
inchi:
InChI=1S/C54H95O16P/c1-3-5-7-9-11-13-15-21-51-23-17-19-25-53(51)67-47-43-63-39-35-59-31-27-57-29-33-61-37-41-65-45-49-69-71(55,56)70-50-46-66-42-38-62-34-30-58-28-32-60-36-40-64-44-48-68-54-26-20-18-24-52(54)22-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22,27-50H2,1-2H3,(H,55,56)


name: 3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(nonylphenoxy)-, hydrogen phosphate
cas: 66172-82-5
chemspiderid: 94999
dtxsid: DTXSID2070427
formula: C66H119O22P1
inchikey: BNRFIASCHNQOIV-UHFFFAOYSA-N
norman_susdat_id: NS00013907
pubchem_cid: 105316
inchi:
InChI=1S/C66H119O22P/c1-3-5-7-9-11-13-15-21-63-23-17-19-25-65(63)85-59-55-81-51-47-77-43-39-73-35-31-69-27-29-71-33-37-75-41-45-79-49-53-83-57-61-87-89(67,68)88-62-58-84-54-50-80-46-42-76-38-34-72-30-28-70-32-36-74-40-44-78-48-52-82-56-60-86-66-26-20-18-24-64(66)22-16-14-12-10-8-6-4-2/h17-20,23-26H,3-16,21-22,27-62H2,1-2H3,(H,67,68)

smiles:
CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCO[P](O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOc2ccccc2CCCCCCCCC


name: Bis[20-(dinonylphenoxy)-3,6,9,12,15,18-hexaoxaicosyl] hydrogen phosphate
cas: 66172-83-6
dtxsid: DTXSID7070428
formula: C76H139O18P
inchikey: JYPWDPPEAZPTCW-UHFFFAOYSA-N
norman_susdat_id: NS00055128
pubchem_cid: 21118015
inchi:
InChI=1/C76H139O18P/c1-5-9-13-17-21-25-29-35-71-37-33-41-75(73(71)39-31-27-23-19-15-11-7-3)91-67-63-87-59-55-83-51-47-79-43-45-81-49-53-85-57-61-89-65-69-93-95(77,78)94-70-66-90-62-58-86-54-50-82-46-44-80-48-52-84-56-60-88-64-68-92-76-42-34-38-72(36-30-26-22-18-14-10-6-2)74(76)40-32-28-24-20-16-12-8-4/h33-34,37-38,41-42H,5-32,35-36,39-40,43-70H2,1-4H3,(H,77,78)

smiles:
O=P(O)(OCCOCCOCCOCCOCCOCCOCCOC1=CC=CC(=C1CCCCCCCCC)CCCCCCCCC)OCCOCCOCCOCCOCCOCCOCCOC2=CC=CC(=C2CCCCCCCCC)CCCCCCCCC


name: 26-(dinonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
cas: 66172-85-8
dtxsid: DTXSID90984663
formula: C42H78O10
inchikey: MGKBNTTWUIKCKJ-UHFFFAOYSA-N
norman_susdat_id: NS00056003
pubchem_cid: 21118019
smiles: OCCOCCOCCOCCOCCOCCOCCOCCOCCOC1=CC=CC(=C1CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C42H78O10/c1-3-5-7-9-11-13-15-18-40-19-17-21-42(41(40)20-16-14-12-10-8-6-4-2)52-39-38-51-37-36-50-35-34-49-33-32-48-31-30-47-29-28-46-27-26-45-25-24-44-23-22-43/h17,19,21,43H,3-16,18,20,22-39H2,1-2H3


name: 5-methyl-3,8-dinitro-6-phenylphenanthridinium bromide
cas: 66180-22-1
dtxsid: DTXSID90984668
formula: C20H16N3O4
inchikey: YHGYPGBNXLEMLQ-UHFFFAOYSA-M
norman_susdat_id: NS00054673
pubchem_cid: 6455278
smiles: [Br-].O=[N+]([O-])C=1C=CC=2C=3C=CC(=CC3[N+](=C(C=4C=CC=CC4)C2C1)C)[N+](=O)[O-]
inchi:
InChI=1/C20H14N3O4.BrH/c1-21-19-12-15(23(26)27)8-10-17(19)16-9-7-14(22(24)25)11-18(16)20(21)13-5-3-2-4-6-13;/h2-12H,1H3;1H/q+1;/p-1


name: 9,10-Anthracenedione, 1,4,5,8-tetrakis(phenylamino)-
cas: 66181-84-8
chemspiderid: 95004
dtxsid: DTXSID1070430
formula: C38H28N4O2
inchikey: YFGXHOXJMJBGNY-UHFFFAOYSA-N
norman_susdat_id: NS00035969
pubchem_cid: 105321
smiles: O=C1c2c(C(=O)c3c(Nc4ccccc4)ccc(Nc4ccccc4)c13)c(Nc1ccccc1)ccc2Nc1ccccc1
inchi:
InChI=1S/C38H28N4O2/c43-37-33-29(39-25-13-5-1-6-14-25)21-22-30(40-26-15-7-2-8-16-26)34(33)38(44)36-32(42-28-19-11-4-12-20-28)24-23-31(35(36)37)41-27-17-9-3-10-18-27/h1-24,39-42H


name: Thiazolo[5,4-d]thiazole-2,5-diylbis[methoxybenzenesulphonic] acid
cas: 66182-97-6
dtxsid: DTXSID40984673
formula: C18H14N2O8S4
inchikey: ZHWVGPZFXBIPLS-UHFFFAOYSA-N
norman_susdat_id: NS00055129
pubchem_cid: 171767
smiles: O=S(=O)(O)C1=CC=CC(C2=NC=3SC(=NC3S2)C=4C=CC=C(C4OC)S(=O)(=O)O)=C1OC
inchi:
InChI=1/C18H14N2O8S4/c1-27-13-9(5-3-7-11(13)31(21,22)23)15-19-17-18(29-15)20-16(30-17)10-6-4-8-12(14(10)28-2)32(24,25)26/h3-8H,1-2H3,(H,21,22,23)(H,24,25,26)


name: Disodium thiazolo[5,4-d]thiazole-2,5-diylbis[methoxybenzenesulphonate]
cas: 66182-98-7
formula: C18H14N2O8S4.2Na
inchikey: SUJYYJZIWYSVKN-UHFFFAOYSA-L
norman_susdat_id: NS00088151
smiles: [Na+].[Na+].COc1c(cccc1S(=O)(=O)[O-])c2nc3sc(nc3s2)c4cccc(c4OC)S(=O)(=O)[O-]
inchi:
InChI=1/C18H14N2O8S4.2Na/c1-27-13-9(5-3-7-11(13)31(21,22)23)15-19-17-18(29-15)20-16(30-17)10-6-4-8-12(14(10)28-2)32(24,25)26;;/h3-8H,1-2H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: 4-Methyl-2-oxo-2H-1-benzopyran-7-yl laurate
cas: 66185-71-5
chemspiderid: 522222
dtxsid: DTXSID10216372
formula: C22H30O4
inchikey: KDECSHRKPUAALS-UHFFFAOYSA-N
norman_susdat_id: NS00035970
pubchem_cid: 600674
smiles: CCCCCCCCCCCC(=O)Oc1cc2c(cc1)c(C)cc(=O)o2
inchi:
InChI=1S/C22H30O4/c1-3-4-5-6-7-8-9-10-11-12-21(23)25-18-13-14-19-17(2)15-22(24)26-20(19)16-18/h13-16H,3-12H2,1-2H3


name: Ibopamine
cas: 66195-31-1
chebiid: CHEBI:135306
chemspiderid: 61829
dtxsid: DTXSID3023138
formula: C17H25N1O4
inchikey: WDKXLLJDNUBYCY-UHFFFAOYSA-N
norman_susdat_id: NS00008880
pubchem_cid: 68555
smiles: CNCCc1ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c1
inchi:
InChI=1S/C17H25NO4/c1-11(2)16(19)21-14-7-6-13(8-9-18-5)10-15(14)22-17(20)12(3)4/h6-7,10-12,18H,8-9H2,1-5H3


name: SODIUM LAURETH-7 SULFATE
cas: 66197-75-9
chemspiderid: 95007
formula: C26H54O11S1
inchikey: FZACGOAIMANYDC-UHFFFAOYSA-N
norman_susdat_id: NS00014062
pubchem_cid: 105324
smiles: [Na+].CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO[S]([O-])(=O)=O
inchi:
InChI=1S/C26H54O11S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-30-13-14-31-15-16-32-17-18-33-19-20-34-21-22-35-23-24-36-25-26-37-38(27,28)29;/h2-26H2,1H3,(H,27,28,29);/q;+1/p-1


name: 3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(nonylphenoxy)-, dihydrogenphosphate
cas: 66197-78-2
chemspiderid: 19969512
dtxsid: DTXSID6041212
formula: C33H61O13P1
inchikey: FVWKLGOINOMUFC-UHFFFAOYSA-N
norman_susdat_id: NS00019405
pubchem_cid: 21118014
smiles: CCCCCCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOP(=O)(O)O
inchi:
InChI=1S/C33H61O13P/c1-2-3-4-5-6-7-8-11-32-12-9-10-13-33(32)45-30-28-43-26-24-41-22-20-39-18-16-37-14-15-38-17-19-40-21-23-42-25-27-44-29-31-46-47(34,35)36/h9-10,12-13H,2-8,11,14-31H2,1H3,(H2,34,35,36)


name: Trisodium 2,2',2''-nitrilotriethyl triphosphate
cas: 66197-79-3
dtxsid: DTXSID30984682
formula: C6H18NO12P3
inchikey: MWIBOTNHGPNIQL-UHFFFAOYSA-H
norman_susdat_id: NS00054674
pubchem_cid: 62246
smiles: [Na+].[Na+].[Na+].O=P([O-])([O-])OCCN(CCOP(=O)([O-])[O-])CCOP(=O)([O-])[O-]
inchi:
InChI=1/C6H18NO12P3.3Na/c8-20(9,10)17-4-1-7(2-5-18-21(11,12)13)3-6-19-22(14,15)16;;;/h1-6H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16);;;/q;3*+1/p-6


name: Proglumide
cas: 6620-60-6
chebiid: CHEBI:76266
chemspiderid: 4753
dtxsid: DTXSID7023516
formula: C18H26N2O4
inchikey: DGMKFQYCZXERLX-UHFFFAOYSA-N
norman_susdat_id: NS00004778
pubchem_cid: 4922
smiles: CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1
inchi:
InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)


name: Carocainide
cas: 66203-00-7
dtxsid: DTXSID00216381
formula: C18H25N3O5
inchikey: BWMMRMDCODVQBX-UHFFFAOYSA-N
norman_susdat_id: NS00055130
pubchem_cid: 71970
smiles: O=C(NC=1C(OC)=C2C=COC2=C(OC)C1OCCN3CCCC3)NC
inchi:
InChI=1/C18H25N3O5/c1-19-18(22)20-13-14(23-2)12-6-10-25-15(12)17(24-3)16(13)26-11-9-21-7-4-5-8-21/h6,10H,4-5,7-9,11H2,1-3H3,(H2,19,20,22)


name: Murocainide
cas: 66203-94-9
dtxsid: DTXSID30216394
formula: C19H27N3O5
inchikey: ZXISMUFCWBYFTO-UHFFFAOYSA-N
norman_susdat_id: NS00054675
pubchem_cid: 71747
smiles: O=C(NC=1C(OC)=C2C=COC2=C(OC)C1OCCN3CCCCC3)NC
inchi:
InChI=1/C19H27N3O5/c1-20-19(23)21-14-15(24-2)13-7-11-26-16(13)18(25-3)17(14)27-12-10-22-8-5-4-6-9-22/h7,11H,4-6,8-10,12H2,1-3H3,(H2,20,21,23)


cas: 66209-67-4
dtxsid: DTXSID60984695
formula: C33H44N8O4S3
inchikey: PBEBYNCXTMVYLQ-UHFFFAOYSA-M
norman_susdat_id: NS00055132
pubchem_cid: 6455282
smiles: [Na+].O=S(=O)([O-])C=1C=C(C=CC1OCCCCCCCCCCCCCCCC)C2=NN3C=NN=C3SC2SC4=NN=NN4C=5C=CC=CC5
name:
Sodium 2-(hexadecyloxy)-5-[7-[(1-phenyl-1H-tetrazol-5-yl)thio]-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-6-yl]benzenesulphonate

inchi:
InChI=1/C33H44N8O4S3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-45-28-22-21-26(24-29(28)48(42,43)44)30-31(46-32-35-34-25-40(32)37-30)47-33-36-38-39-41(33)27-19-16-15-17-20-27;/h15-17,19-22,24-25,31H,2-14,18,23H2,1H3,(H,42,43,44);/q;+1/p-1


cas: 66210-62-6
formula: C45H60ClN5O6S2
inchikey: MBGFJAVSRUZAQK-UHFFFAOYSA-N
norman_susdat_id: NS00055133
pubchem_cid: 71439462
name:
N-[2-chloro-5-[[4-(2,4-di-tert-pentylphenoxy)-1-oxobutyl]amino]phenyl]-a-(2,2-dimethyl-1-oxopropyl)-5-isopropyl-2-[(p-tolylsulphonyl)imino]-1,3,4-thiadiazol-3(2H)-acetamide

inchi:
InChI=1/C45H60ClN5O6S2/c1-13-44(9,10)30-19-24-36(33(26-30)45(11,12)14-2)57-25-15-16-37(52)47-31-20-23-34(46)35(27-31)48-40(54)38(39(53)43(6,7)8)51-42(58-41(49-51)28(3)4)50-59(55,56)32-21-17-29(5)18-22-32/h17-24,26-28,38H,13-16,25H2,1-12H3,(H,47,52)(H,48,54)

smiles:
O=C(NC1=CC=C(Cl)C(=C1)NC(=O)C(C(=O)C(C)(C)C)N2N=C(SC2=NS(=O)(=O)C3=CC=C(C=C3)C)C(C)C)CCCOC4=CC=C(C=C4C(C)(C)CC)C(C)(C)CC


name: Detorubicin
cas: 66211-92-5
chemspiderid: 5292890
formula: C33H39N1O14
inchikey: XZSRRNFBEIOBDA-CFNBKWCHSA-N
norman_susdat_id: NS00011908
pubchem_cid: 6917660
inchi:
InChI=1S/C33H39NO14/c1-5-44-32(45-6-2)31(41)46-13-20(35)33(42)11-16-23(19(12-33)48-21-10-17(34)26(36)14(3)47-21)30(40)25-24(28(16)38)27(37)15-8-7-9-18(43-4)22(15)29(25)39/h7-9,14,17,19,21,26,32,36,38,40,42H,5-6,10-13,34H2,1-4H3/t14-,17-,19-,21-,26+,33-/m0/s1

smiles:
CCOC(C(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O)OCC


name: 17-Hydroxy-1,4,6-pregnatriene-3,20-dione
cas: 66212-25-7
chemspiderid: 23352124
formula: C21H26O3
inchikey: PJERKBARHKFJRD-CEGNMAFCSA-N
norman_susdat_id: NS00002159
pubchem_cid: 54192044
smiles: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C21H26O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4-6,9,12,16-18,24H,7-8,10-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1


name: 2-Naphthalenesulfonic acid, 7-[[2-hydroxy-5-[(4-hydroxyphenyl)sulfonyl]phenyl]methyl]-
cas: 66214-40-2
chemspiderid: 95008
dtxsid: DTXSID1070432
formula: C23H18O7S2
inchikey: PZNUDBAENICMJW-UHFFFAOYSA-N
norman_susdat_id: NS00035971
pubchem_cid: 105325
smiles: Oc1ccc(cc1)S(=O)(=O)c1cc(Cc2cc3c(cc2)ccc(c3)S(=O)(=O)O)c(O)cc1
inchi:
InChI=1S/C23H18O7S2/c24-19-4-7-20(8-5-19)31(26,27)21-9-10-23(25)18(14-21)12-15-1-2-16-3-6-22(32(28,29)30)13-17(16)11-15/h1-11,13-14,24-25H,12H2,(H,28,29,30)


name: Benzenecarboximidoyl chloride, N,N'-(9,10-dihydro-9,10-dioxo-2,6-anthracenediyl)bis-
cas: 66214-41-3
chemspiderid: 95009
dtxsid: DTXSID6070433
formula: C28H16Cl2N2O2
inchikey: SXMJAAZDNXOTAM-UHFFFAOYSA-N
norman_susdat_id: NS00035972
pubchem_cid: 105326
smiles: ClC(=Nc1cc2c(cc1)C(=O)c1c(ccc(c1)N=C(Cl)c1ccccc1)C2=O)c1ccccc1
inchi:
InChI=1S/C28H16Cl2N2O2/c29-27(17-7-3-1-4-8-17)31-19-11-13-21-23(15-19)25(33)22-14-12-20(16-24(22)26(21)34)32-28(30)18-9-5-2-6-10-18/h1-16H/b31-27-,32-28+


name: Disodium 2-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]benzoate
cas: 66214-42-4
dtxsid: DTXSID1070434
formula: C17H13N3O6S
inchikey: JAASVAXWTKMZPV-UHFFFAOYSA-L
norman_susdat_id: NS00055134
pubchem_cid: 105328
smiles: [Na+].[Na+].O=C([O-])C=1C=CC=CC1N=NC=2C(O)=C3C=C(N)C=CC3=CC2S(=O)(=O)[O-]
inchi:
InChI=1/C17H13N3O6S.2Na/c18-10-6-5-9-7-14(27(24,25)26)15(16(21)12(9)8-10)20-19-13-4-2-1-3-11(13)17(22)23;;/h1-8,21H,18H2,(H,22,23)(H,24,25,26);;/q;2*+1/p-2


name: 2-(2,5-dichlorophenyl)-2,4-dihydro-4-[(2-methoxyphenyl)azo]-5-methyl-3H-pyrazol-3-one
cas: 66214-45-7
dtxsid: DTXSID10886574
formula: C17H14Cl2N4O2
inchikey: VDMPWAVIRNDZSQ-UHFFFAOYSA-N
norman_susdat_id: NS00055050
pubchem_cid: 105331
smiles: O=C1N(N=C(C)C1N=NC=2C=CC=CC2OC)C3=CC(Cl)=CC=C3Cl
inchi:
InChI=1/C17H14Cl2N4O2/c1-10-16(21-20-13-5-3-4-6-15(13)25-2)17(24)23(22-10)14-9-11(18)7-8-12(14)19/h3-9,16H,1-2H3


name: Sodium 4-[[4-[(2-nitrophenyl)amino]phenyl]azo]benzenesulphonate
cas: 66214-46-8
dtxsid: DTXSID1070436
formula: C18H15N4O5S
inchikey: PYIAQEDVAJVCGA-UHFFFAOYSA-M
norman_susdat_id: NS00054676
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C=1C=CC=CC1NC2=CC=C(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C=C2
inchi:
InChI=1/C18H14N4O5S.Na/c23-22(24)18-4-2-1-3-17(18)19-13-5-7-14(8-6-13)20-21-15-9-11-16(12-10-15)28(25,26)27;/h1-12,19H,(H,25,26,27);/q;+1/p-1


cas: 66214-47-9
formula: C44H34N8O17S4
inchikey: ZPPSKXJGHDUCJN-UHFFFAOYSA-J
norman_susdat_id: NS00055150
pubchem_cid: NA
name:
2,7-Naphthalenedisulfonic acid, 5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-3-[[4'-[(2-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, tetrasodium salt

inchi:
InChI=1/C44H34N8O17S4.4Na/c1-22-39(44(55)52(51-22)27-7-5-4-6-8-27)48-47-33-21-29(71(59,60)61)16-26-20-36(72(62,63)64)41(43(54)38(26)33)50-46-32-14-10-24(18-35(32)69-3)23-9-13-31(34(17-23)68-2)45-49-40-30-12-11-28(70(56,57)58)15-25(30)19-37(42(40)53)73(65,66)67;;;;/h4-21,39,53-54H,1-3H3,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC3=CC(=C(N=NC4=CC=C(C=C4OC)C5=CC=C(N=NC=6C(O)=C(C=C7C=C(C=CC76)S(=O)(=O)[O-])S(=O)(=O)[O-])C(OC)=C5)C(O)=C23)S(=O)(=O)[O-])S(=O)(=O)[O-])C=8C=CC=CC8


name: Sodium 3-[[4-[(4-ethoxyphenyl)azo]-3-methoxyphenyl]azo]benzenesulphonate
cas: 66214-48-0
dtxsid: DTXSID6070437
formula: C21H20N4O5S
inchikey: ZXMBXUGIZDIZBF-UHFFFAOYSA-M
norman_susdat_id: NS00054677
pubchem_cid: 105335
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(N=NC3=CC=C(OCC)C=C3)C(OC)=C2)C1
inchi:
InChI=1/C21H20N4O5S.Na/c1-3-30-18-10-7-15(8-11-18)22-25-20-12-9-17(14-21(20)29-2)24-23-16-5-4-6-19(13-16)31(26,27)28;/h4-14H,3H2,1-2H3,(H,26,27,28);/q;+1/p-1


cas: 66214-49-1
dtxsid: DTXSID1070438
formula: C28H24N6O8S
inchikey: OULJVPDFRVSKPE-UHFFFAOYSA-L
norman_susdat_id: NS00055151
pubchem_cid: NA
name:
Disodium 5-[[4-[[[[2-methoxy-4-[(3-sulphonatophenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]-3-methylsalicylate

inchi:
InChI=1/C28H24N6O8S.2Na/c1-16-12-21(14-23(26(16)35)27(36)37)34-31-18-8-6-17(7-9-18)29-28(38)30-24-11-10-20(15-25(24)42-2)33-32-19-4-3-5-22(13-19)43(39,40)41;;/h3-15,35H,1-2H3,(H,36,37)(H2,29,30,38)(H,39,40,41);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)NC(=O)NC3=CC=C(N=NC4=CC=CC(=C4)S(=O)(=O)[O-])C=C3OC)=CC(=C1O)C


cas: 66214-51-5
dtxsid: DTXSID6070439
formula: C34H28N6O11S3
inchikey: BHSJRCQNCOQCIC-UHFFFAOYSA-K
norman_susdat_id: NS00055192
pubchem_cid: NA
name:
Trisodium 5-amino-3-[[4'-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C34H28N6O11S3.3Na/c1-16-9-18(4-7-26(16)37-39-31-28(53(46,47)48)12-20-3-6-22(35)14-24(20)33(31)41)19-5-8-27(17(2)10-19)38-40-32-29(54(49,50)51)13-21-11-23(52(43,44)45)15-25(36)30(21)34(32)42;;;/h3-15,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(N)C=2C(C1)=CC(=C(N=NC3=CC=C(C=C3C)C4=CC=C(N=NC5=C(O)C6=CC(N)=CC=C6C=C5S(=O)(=O)[O-])C(=C4)C)C2O)S(=O)(=O)[O-]


cas: 66214-52-6
dtxsid: DTXSID00889857
formula: C34H28N6O8S2
inchikey: RMORXXXTMIPMAX-UHFFFAOYSA-L
norman_susdat_id: NS00055193
pubchem_cid: NA
name:
Disodium 6-amino-3-[[4'-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C34H28N6O8S2.2Na/c1-17-11-19(4-9-27(17)37-39-31-30(50(46,47)48)15-22-13-23(35)7-8-25(22)33(31)41)20-5-10-28(18(2)12-20)38-40-32-29(49(43,44)45)14-21-3-6-24(36)16-26(21)34(32)42;;/h3-16,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(N)C=C2C(O)=C1N=NC3=CC=C(C=C3C)C4=CC=C(N=NC=5C(O)=C6C=CC(N)=CC6=CC5S(=O)(=O)[O-])C(=C4)C


name: Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2-chloro-5-nitrophenyl)azo]phenyl]-
cas: 66214-53-7
chemspiderid: 85705
dtxsid: DTXSID5070440
formula: C22H24Cl1N5O7
inchikey: FECKWPGJFHACBC-UHFFFAOYSA-N
norman_susdat_id: NS00035973
pubchem_cid: 105340
smiles: CC(=O)Nc1c(ccc(c1)N(CCOC(=O)C)CCOC(=O)C)N=Nc1c(Cl)ccc(c1)[N+](=O)[O-]
inchi:
InChI=1S/C22H24ClN5O7/c1-14(29)24-22-12-17(27(8-10-34-15(2)30)9-11-35-16(3)31)5-7-20(22)25-26-21-13-18(28(32)33)4-6-19(21)23/h4-7,12-13H,8-11H2,1-3H3,(H,24,29)/b26-25+


name: Ethanol, 2,2'-[[4-[(4-nitrophenyl)azo]phenyl]imino]bis-, diacetate (ester)
cas: 66214-54-8
chemspiderid: 95016
dtxsid: DTXSID0070441
formula: C20H22N4O6
inchikey: MOZMAXZPHVWRTA-UHFFFAOYSA-N
norman_susdat_id: NS00035974
pubchem_cid: 105341
smiles: CC(=O)OCCN(CCOC(=O)C)c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C20H22N4O6/c1-15(25)29-13-11-23(12-14-30-16(2)26)19-7-3-17(4-8-19)21-22-18-5-9-20(10-6-18)24(27)28/h3-10H,11-14H2,1-2H3/b22-21+


cas: 66214-55-9
dtxsid: DTXSID5070442
formula: C56H45N8O28S7
inchikey: JROUDDQTYQOGHL-UJYREWGPSA-N
norman_susdat_id: NS00055113
pubchem_cid: NA
name:
Benzenesulfonic acid, 5-[[4-[2-[4-[[4-[2-(4-nitro-2-sulfophenyl)ethenyl]phenyl]-ONN-azoxy]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-NNO-azoxy]-2-[2-[4-[[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-ONN-azoxy]-2-sulfophenyl]ethenyl]-

inchi:
InChI=1/C56H40N8O28S7/c65-60(45-21-2-34(3-22-45)1-4-35-16-25-48(63(68)69)32-55(35)98(87,88)89)57-42-18-11-36(50(27-42)93(72,73)74)5-6-37-12-19-43(28-51(37)94(75,76)77)58-61(66)46-23-14-39(53(30-46)96(81,82)83)8-7-38-13-20-44(29-52(38)95(78,79)80)59-62(67)47-24-15-40(54(31-47)97(84,85)86)9-10-41-17-26-49(64(70)71)33-56(41)99(90,91)92/h1-33H,(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)

smiles:
O=[N+]([O-])C1=CC=C(C=CC2=CC=C(C=C2)[N+]([O-])=NC3=CC=C(C=CC4=CC=C(N=[N+]([O-])C5=CC=C(C=CC6=CC=C(N=[N+]([O-])C7=CC=C(C=CC8=CC=C(C=C8S(=O)(=O)O)[N+](=O)[O-])C(=C7)S(=O)(=O)O)C=C6S(=O)(=O)O)C(=C5)S(=O)(=O)O)C=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O)C(=C1)S(=O)(=O)O


name: Benzenecarbothioamide, N,N'-(9,10-dihydro-9,10-dioxo-2,6-anthracenediyl)bis-
cas: 66214-56-0
chemspiderid: 2299179
dtxsid: DTXSID0070443
formula: C28H18N2O2S2
inchikey: KHMGYVWUOXVNNR-UHFFFAOYSA-N
norman_susdat_id: NS00035976
pubchem_cid: 3034770
smiles: O=C1c2c(cc(NC(=S)c3ccccc3)cc2)C(=O)c2c1cc(NC(=S)c1ccccc1)cc2
inchi:
InChI=1S/C28H18N2O2S2/c31-25-22-14-12-20(30-28(34)18-9-5-2-6-10-18)16-24(22)26(32)21-13-11-19(15-23(21)25)29-27(33)17-7-3-1-4-8-17/h1-16H,(H,29,33)(H,30,34)


name: Dibenzylammonium dibenzyldithiocarbamate
cas: 66216-84-0
formula: C15H15NS2.C14H15N
inchikey: TVQBOCMFTVVKMG-UHFFFAOYSA-N
norman_susdat_id: NS00087705
smiles: [S-]C(=S)N(Cc1ccccc1)Cc2ccccc2.C([NH2+]Cc3ccccc3)c4ccccc4
inchi:
InChI=1/C15H15NS2.C14H15N/c17-15(18)16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,18);1-10,15H,11-12H2


name: trans-butoxy-4-(4-pentylcyclohexyl)benzene
cas: 66227-21-2
dtxsid: DTXSID90984724
formula: C21H34O
inchikey: UFZFIGQTSGIKME-UHFFFAOYSA-N
norman_susdat_id: NS00055194
pubchem_cid: 3017655
smiles: O(C1=CC=C(C=C1)C2CCC(CCCCC)CC2)CCCC
inchi:
InChI=1/C21H34O/c1-3-5-7-8-18-9-11-19(12-10-18)20-13-15-21(16-14-20)22-17-6-4-2/h13-16,18-19H,3-12,17H2,1-2H3


name: Esfenvalerate
cas: 66230-04-4
chebiid: CHEBI:39346
chemspiderid: 8517510
dtxsid: DTXSID4032667
formula: C25H22Cl1N1O3
inchikey: NYPJDWWKZLNGGM-RPWUZVMVSA-N
norman_susdat_id: NS00004711
pubchem_cid: 10342051
smiles: CC(C)[C@H](C(=O)O[C@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1
inchi:
InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1


name: 4,4'-methylenebis[2-methyl-N-(1-methylpropylidene)cyclohexylamine]
cas: 66230-23-7
formula: C23H42N2
inchikey: OCBSXMZSRJLIQC-UHFFFAOYSA-N
norman_susdat_id: NS00055114
pubchem_cid: 6455290
smiles: N(=C(C)CC)C1CCC(CC1C)CC2CCC(N=C(C)CC)C(C)C2
inchi:
InChI=1/C23H42N2/c1-7-18(5)24-22-11-9-20(13-16(22)3)15-21-10-12-23(17(4)14-21)25-19(6)8-2/h16-17,20-23H,7-15H2,1-6H3


name: CTX 4A
cas: 66231-73-0
dtxsid: DTXSID40880106
formula: C60H84O16
inchikey: QFYRPKKCVYDHFZ-FKFYNGSCSA-N
norman_susdat_id: NS00075600
inchi:
InChI=1/C60H84O16/c1-7-8-13-34-14-11-17-41-56(65-34)53(63)57-49(69-41)26-43-40(72-57)21-20-38-39(67-43)19-18-37-35(66-38)15-9-10-16-36-45(68-37)28-50(61)59(6)51(71-36)29-46-47(75-59)25-30(2)24-42-44(70-46)27-48-54(73-42)32(4)52(62)58-55(74-48)31(3)33(5)60(76-58)22-12-23-64-60/h7-11,13-14,18-21,30-58,61-63H,1,12,15-17,22-29H2,2-6H3/b10-9+,13-8+/t30-,31+,32+,33+,34+,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53-,54-,55-,56+,57-,58+,59+,60+/s2

smiles:
[H][C@@]12C[C@]3([H])O[C@]4([H])C=C[C@]5([H])O[C@]6([H])C[C@@H](O)[C@]7(C)O[C@]8([H])C[C@H](C)C[C@]9([H])O[C@]%10([H])[C@@H](C)[C@H](O)[C@]%11([H])O[C@@]%12(CCCO%12)[C@@H](C)[C@H](C)[C@@]%11([H])O[C@@]%10([H])C[C@@]9([H])O[C@@]8([H])C[C@@]7([H])O[C@@]6([H])CC=CC[C@@]5([H])O[C@@]4([H])C=C[C@@]3([H])O[C@@]1([H])[C@H](O)[C@@]1([H])O[C@@H](C=CC=C)C=CC[C@]1([H])O2


cas: 66236-90-6
dtxsid: DTXSID60886802
formula: C26H24N6O7S
inchikey: YAJZBUDJUSTGJN-UHFFFAOYSA-M
norman_susdat_id: NS00055195
pubchem_cid: 163114
smiles: [Na+].O=C(NC=1C=CC=C(N=NC=2C=C(OC)C(N=NC3=C(N)C=CC4=CC(=CC(O)=C34)S(=O)(=O)[O-])=CC2OC)C1)C
name:
Sodium 5-[[4-[(3-acetamidophenyl)azo]-2,5-dimethoxyphenyl]azo]-6-amino-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C26H24N6O7S.Na/c1-14(33)28-16-5-4-6-17(10-16)29-30-20-12-24(39-3)21(13-23(20)38-2)31-32-26-19(27)8-7-15-9-18(40(35,36)37)11-22(34)25(15)26;/h4-13,34H,27H2,1-3H3,(H,28,33)(H,35,36,37);/q;+1/p-1


name: C18 Alkyl polyglycoside
cas: 6624-48-2
chemspiderid: 106809
formula: C24H48O6
inchikey: UFSKIYBOKFBSOA-GNADVCDUSA-N
norman_susdat_id: NS00095397
pubchem_cid: 119626
smiles: CCCCCCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
inchi:
InChI=1S/C24H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-24-23(28)22(27)21(26)20(19-25)30-24/h20-28H,2-19H2,1H3/t20-,21-,22+,23-,24-/m1/s1


name: C.I. Acid Violet 12, disodium salt
cas: 6625-46-3
chemspiderid: 21172579
dtxsid: DTXSID6041715
formula: C19H17N3O9S2
inchikey: UDMXIGPLHJOQKB-ZPZFBZIMSA-L
norman_susdat_id: NS00019742
pubchem_cid: NA
smiles: [Na+].COc1ccccc1NN=C1C(=O)c2c(NC(=O)C)cc(cc2C=C1S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C19H17N3O9S2/c1-10(23)20-14-9-12(32(25,26)27)7-11-8-16(33(28,29)30)18(19(24)17(11)14)22-21-13-5-3-4-6-15(13)31-2/h3-9,21H,1-2H3,(H,20,23)(H,25,26,27)(H,28,29,30)/b22-18-


name: 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Docosafluoroundec-1-ene
cas: 66256-52-8
dtxsid: DTXSID40895457
formula: C11F22
inchikey: DVQLQARMQAHYFI-UHFFFAOYSA-N
norman_susdat_id: NS00110370
smiles: FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11F22/c12-1(2(13)14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)33


name: Disodium 3,3'-[carbonylbis(imino-p-phenyleneazo)]bis[6-hydroxy-5-methylbenzoate]
cas: 66256-74-4
dtxsid: DTXSID0070447
formula: C29H24N6O7
inchikey: PQRQYRHJXSNYOW-UHFFFAOYSA-L
norman_susdat_id: NS00056078
pubchem_cid: NA
inchi:
InChI=1/C29H24N6O7.2Na/c1-15-11-21(13-23(25(15)36)27(38)39)34-32-19-7-3-17(4-8-19)30-29(42)31-18-5-9-20(10-6-18)33-35-22-12-16(2)26(37)24(14-22)28(40)41;;/h3-14,36-37H,1-2H3,(H,38,39)(H,40,41)(H2,30,31,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)NC(=O)NC3=CC=C(N=NC=4C=C(C(=O)[O-])C(O)=C(C4)C)C=C3)=CC(=C1O)C


name: 1,4-Bis(1-oxododecyl)piperazine
cas: 6626-83-1
chemspiderid: 73175
dtxsid: DTXSID60216463
formula: C28H54N2O2
inchikey: IGWXRAMPNLUISR-UHFFFAOYSA-N
norman_susdat_id: NS00035991
pubchem_cid: 81108
smiles: CCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)CCCCCCCCCCC
inchi:
InChI=1S/C28H54N2O2/c1-3-5-7-9-11-13-15-17-19-21-27(31)29-23-25-30(26-24-29)28(32)22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3


cas: 66261-70-9
formula: C33H25ClN8O9S3
inchikey: FELODSAGZQMQRQ-UHFFFAOYSA-K
norman_susdat_id: NS00056079
pubchem_cid: 6455296
name:
Trisodium 2-[[4-[[4-[(4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino]-7-sulphonato-1-naphthyl]azo]-2,5-dimethylphenyl]azo]benzene-1,4-disulphonate

inchi:
InChI=1/C33H25ClN8O9S3.3Na/c1-18-15-28(41-42-29-17-22(53(46,47)48)9-13-30(29)54(49,50)51)19(2)14-27(18)40-39-26-12-11-25(23-10-8-21(16-24(23)26)52(43,44)45)35-33-37-31(36-32(34)38-33)20-6-4-3-5-7-20;;;/h3-17H,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,35,36,37,38);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C(N=NC2=CC(=C(N=NC3=CC=C(NC4=NC(Cl)=NC(=N4)C=5C=CC=CC5)C=6C=CC(=CC36)S(=O)(=O)[O-])C=C2C)C)=C1)S(=O)(=O)[O-]


name: 4-hydroxy-a-[[[3-(4-methoxyphenyl)-1-methylpropyl]amino]methyl]-3-(methylthio)benzyl alcohol
cas: 66264-72-0
formula: C20H27NO3S
inchikey: CRDBXRWQBYVTGN-UHFFFAOYSA-N
norman_susdat_id: NS00088176
smiles: COc1ccc(CCC(C)NCC(O)c2ccc(O)c(SC)c2)cc1
inchi:
InChI=1/C20H27NO3S/c1-14(4-5-15-6-9-17(24-2)10-7-15)21-13-19(23)16-8-11-18(22)20(12-16)25-3/h6-12,14,19,21-23H,4-5,13H2,1-3H3


name: [4,ß-dihydroxy-3-(methylthio)phenethyl][1-methyl-3-(4-methoxyphenyl)propyl]ammonium acetate
cas: 66264-73-1
dtxsid: DTXSID60984791
formula: C20H27NO3S
inchikey: DXSZXNSHQYFKFQ-UHFFFAOYSA-N
norman_susdat_id: NS00054730
pubchem_cid: 3017663
smiles: O=C([O-])C.OC1=CC=C(C=C1SC)C(O)C[NH2+]C(C)CCC2=CC=C(OC)C=C2
inchi:
InChI=1/C20H27NO3S.C2H4O2/c1-14(4-5-15-6-9-17(24-2)10-7-15)21-13-19(23)16-8-11-18(22)20(12-16)25-3;1-2(3)4/h6-12,14,19,21-23H,4-5,13H2,1-3H3;1H3,(H,3,4)


cas: 66264-96-8
formula: C20H27NO3S.ClH
inchikey: MGFTUUJSTPDBSO-UHFFFAOYSA-N
norman_susdat_id: NS00087489
smiles: Cl.COc1ccc(CCC(C)NCC(O)c2ccc(O)c(SC)c2)cc1
name:
4-hydroxy-a-[[[3-(4-methoxyphenyl)-1-methylpropyl]amino]methyl]-3-(methylthio)benzyl alcohol hydrochloride

inchi:
InChI=1/C20H27NO3S.ClH/c1-14(4-5-15-6-9-17(24-2)10-7-15)21-13-19(23)16-8-11-18(22)20(12-16)25-3;/h6-12,14,19,21-23H,4-5,13H2,1-3H3;1H


cas: 66264-97-9
dtxsid: DTXSID00984795
formula: C27H29NO4S
inchikey: ARYLHJDBGBQPIV-UHFFFAOYSA-N
norman_susdat_id: NS00056137
pubchem_cid: 6455300
smiles: [Br-].O=C(OC1=CC=C(C=C1SC)C(=O)C[NH2+]C(C)CCC2=CC=C(OC)C=C2)C=3C=CC=CC3
name:
(+)-[2-[4-(benzoyloxy)-3-(methylthio)phenyl]-2-oxoethyl][3-(4-methoxyphenyl)-1-methylpropyl]ammonium bromide

inchi:
InChI=1/C27H29NO4S.BrH/c1-19(9-10-20-11-14-23(31-2)15-12-20)28-18-24(29)22-13-16-25(26(17-22)33-3)32-27(30)21-7-5-4-6-8-21;/h4-8,11-17,19,28H,9-10,18H2,1-3H3;1H


name: B-Fenvalerate
cas: 66267-77-4
dtxsid: DTXSID3058450
formula: C25H22ClNO3
inchikey: NYPJDWWKZLNGGM-ZEQRLZLVSA-N
norman_susdat_id: NS00076283
smiles: CC(C)[C@H](C(=O)O[C@@H](C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C1=CC=C(Cl)C=C1
inchi:
InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24-/m0/s1


name: 6,7-Dimethyl-2,3-di-2-pyridylquinoxaline
cas: 6627-38-9
chemspiderid: 73176
dtxsid: DTXSID80216465
formula: C20H16N4
inchikey: NACXMBPTPBZQHY-UHFFFAOYSA-N
norman_susdat_id: NS00035994
pubchem_cid: 81109
smiles: Cc1cc2nc(c3ncccc3)c(nc2cc1C)c1ncccc1
inchi:
InChI=1S/C20H16N4/c1-13-11-17-18(12-14(13)2)24-20(16-8-4-6-10-22-16)19(23-17)15-7-3-5-9-21-15/h3-12H,1-2H3


name: 4',5'-Dibromo-3',6'-dihydroxy-2',7'-dimethylspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
cas: 6627-40-3
chemspiderid: 66205
dtxsid: DTXSID40216466
formula: C22H14Br2O5
inchikey: KCHVZEAMZOXQJI-UHFFFAOYSA-N
norman_susdat_id: NS00035995
pubchem_cid: 73520
smiles: Cc1cc2c(Oc3c(cc(C)c(O)c3Br)C32OC(=O)c2c3cccc2)c(Br)c1O
inchi:
InChI=1S/C22H14Br2O5/c1-9-7-13-19(15(23)17(9)25)28-20-14(8-10(2)18(26)16(20)24)22(13)12-6-4-3-5-11(12)21(27)29-22/h3-8,25-26H,1-2H3


name: Piperanine
cas: 6628-54-2
chebiid: CHEBI:167837
formula: C17H21NO3
inchikey: QHWOFMXDKFORMO-XVNBXDOJSA-N
norman_susdat_id: NS00097265
smiles: C1CCN(CC1)C(=O)/C=C/CCC2=CC3=C(C=C2)OCO3
inchi:
InChI=1S/C17H21NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h3,7-9,12H,1-2,4-6,10-11,13H2/b7-3+


cas: 66282-04-0
formula: NA
inchikey: MSKLFEWHBWDCIE-UHFFFAOYSA-N
norman_susdat_id: NS00053822
pubchem_cid: 3017668
name:
4-(acetylamino)-6-[[3-[[[2-[4-(hexadecyloxy)phenyl]-1H-indol-3-yl]amino]sulphonyl]-4-methoxyphenyl]azo]-5-hydroxynaphthalene-1,7-disulphonic acid

inchi:
InChI=1/C49H59N5O12S3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30-66-36-25-22-34(23-26-36)46-47(37-20-17-18-21-39(37)51-46)54-67(57,58)43-31-35(24-28-41(43)65-3)52-53-48-44(69(62,63)64)32-38-42(68(59,60)61)29-27-40(50-33(2)55)45(38)49(48)56/h17-18,20-29,31-32,51,54,56H,4-16,19,30H2,1-3H3,(H,50,55)(H,59,60,61)(H,62,63,64)

smiles:
OS(=O)(=O)c6cc1c(ccc(NC(C)=O)c1c(O)c6N=Nc2cc(c(OC)cc2)S(=O)(=O)Nc3c5ccccc5nc3c4ccc(OCCCCCCCCCCCCCCCC)cc4)S(O)(=O)=O


name: (20R)-3-oxopregn-4-ene-20-carbaldehyde
cas: 66289-21-2
formula: C22H32O2
inchikey: XVPJEGGIGJLDQK-IJDPAOOOSA-N
norman_susdat_id: NS00053759
pubchem_cid: 11461614
smiles: O=CC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
inchi:
InChI=1/C22H32O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h12-14,17-20H,4-11H2,1-3H3


name: 2',(2')'-dibenzylideneoxalohydrazide
cas: 6629-10-3
dtxsid: DTXSID40863919
formula: C16H14N4O2
inchikey: GTIBACHAUHDNPH-UHFFFAOYSA-N
norman_susdat_id: NS00046680
pubchem_cid: 96146
smiles: O=C(NN=CC=1C=CC=CC1)C(=O)NN=CC=2C=CC=CC2
inchi:
InChI=1/C16H14N4O2/c21-15(19-17-11-13-7-3-1-4-8-13)16(22)20-18-12-14-9-5-2-6-10-14/h1-12H,(H,19,21)(H,20,22)


name: Butilfenin
cas: 66292-52-2
chemspiderid: 43575
dtxsid: DTXSID80216506
formula: C16H22N2O5
inchikey: XSYSSUAGVNOMCE-UHFFFAOYSA-N
norman_susdat_id: NS00036009
pubchem_cid: 47894
smiles: CCCCc1ccc(NC(=O)CN(CC(=O)O)CC(=O)O)cc1
inchi:
InChI=1S/C16H22N2O5/c1-2-3-4-12-5-7-13(8-6-12)17-14(19)9-18(10-15(20)21)11-16(22)23/h5-8H,2-4,9-11H2,1H3,(H,17,19)(H,20,21)(H,22,23)


name: (1ß,3ß,5ß)-3-[(6-deoxy-3-O-methyl-a-L-talopyranosyl)oxy]-1,14-dihydroxycard-20(22)-enolide
cas: 663-95-6
chebiid: CHEBI:71022
formula: C30H46O9
inchikey: DKYDBQQIQAPGMH-XGOVAQEESA-N
norman_susdat_id: NS00042335
pubchem_cid: 20055381
smiles: O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(O)C(OC)C6O)CC(O)C5(C)C4CCC23C
inchi:
InChI=1/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-12-17-5-6-21-20(29(17,3)22(31)13-18)7-9-28(2)19(8-10-30(21,28)35)16-11-23(32)37-14-16/h11,15,17-22,24-27,31,33-35H,5-10,12-14H2,1-4H3


name: N-(4-((((Butylamino)carbonyl)amino)sulphonyl)phenyl)acetamide
cas: 6630-00-8
chemspiderid: 73193
dtxsid: DTXSID70216510
formula: C13H19N3O4S1
inchikey: ZIFOWKKZIWXFJO-UHFFFAOYSA-N
norman_susdat_id: NS00036010
pubchem_cid: 81126
smiles: CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)C)cc1
inchi:
InChI=1S/C13H19N3O4S/c1-3-4-9-14-13(18)16-21(19,20)12-7-5-11(6-8-12)15-10(2)17/h5-8H,3-4,9H2,1-2H3,(H,15,17)(H2,14,16,18)


name: 9,10-Anthracenedione, 1,5-dihydroxy-4,8-bis(hydroxyamino)-
cas: 66304-05-0
chemspiderid: 4588602
dtxsid: DTXSID9070452
formula: C14H10N2O6
inchikey: JVIPAPNJSFTNSN-UHFFFAOYSA-N
norman_susdat_id: NS00036013
pubchem_cid: 5484781
smiles: ONc1ccc(O)c2c1C(=O)c1c(O)ccc(NO)c1C2=O
inchi:
InChI=1S/C14H10N2O6/c17-7-3-1-5(15-21)9-11(7)14(20)10-6(16-22)2-4-8(18)12(10)13(9)19/h1-4,15-18,21-22H


name: 9,10-Anthracenedione, 1,8-dihydroxy-4,5-bis(hydroxyamino)-
cas: 66304-06-1
chemspiderid: 4588603
dtxsid: DTXSID4070453
formula: C14H10N2O6
inchikey: CYFBWXFZAJZLJR-UHFFFAOYSA-N
norman_susdat_id: NS00036014
pubchem_cid: 5484782
smiles: ONc1ccc(O)c2c1C(=O)c1c(NO)ccc(O)c1C2=O
inchi:
InChI=1S/C14H10N2O6/c17-7-3-1-5(15-21)9-11(7)14(20)12-8(18)4-2-6(16-22)10(12)13(9)19/h1-4,15-18,21-22H


name: 9,10-Anthracenedione, 1,5-dihydroxy-4,8-bis[hydroxy(hydroxymethyl)amino]-
cas: 66304-07-2
chemspiderid: 95025
dtxsid: DTXSID9070454
formula: C16H14N2O8
inchikey: NNFRZBVKYJQYDZ-UHFFFAOYSA-N
norman_susdat_id: NS00036015
pubchem_cid: 105359
smiles: OCN(O)c1ccc(O)c2c1C(=O)c1c(O)ccc(N(O)CO)c1C2=O
inchi:
InChI=1S/C16H14N2O8/c19-5-17(25)7-1-3-9(21)13-11(7)15(23)14-10(22)4-2-8(18(26)6-20)12(14)16(13)24/h1-4,19-22,25-26H,5-6H2


name: 9,10-Anthracenedione, 1,8-dihydroxy-4,5-bis[hydroxy(hydroxymethyl)amino]-
cas: 66304-08-3
chemspiderid: 95026
dtxsid: DTXSID4070455
formula: C16H14N2O8
inchikey: IWZOZLJGCSSZIT-UHFFFAOYSA-N
norman_susdat_id: NS00036016
pubchem_cid: 105360
smiles: OCN(O)c1ccc(O)c2c1C(=O)c1c(ccc(O)c1C2=O)N(O)CO
inchi:
InChI=1S/C16H14N2O8/c19-5-17(25)7-1-3-9(21)13-11(7)15(23)12-8(18(26)6-20)2-4-10(22)14(12)16(13)24/h1-4,19-22,25-26H,5-6H2


cas: 66309-69-1
formula: C18H23N9O4S3.2ClH
inchikey: BWRRTAXZCKVRON-XPTKPXFUSA-N
norman_susdat_id: NS00086817
smiles: Cl.Cl.CN(C)CCn1nnnc1SCC2=C(N3[C@@H](SC2)[C@@H](NC(=O)Cc4csc(N)n4)C3=O)C(=O)O
name:
(6R-trans)-7-[2-(2-aminothiazol-4-yl)acetamido]-3-[[[1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid dihydrochloride

inchi:
InChI=1/C18H23N9O4S3.2ClH/c1-25(2)3-4-26-18(22-23-24-26)34-7-9-6-32-15-12(14(29)27(15)13(9)16(30)31)21-11(28)5-10-8-33-17(19)20-10;;/h8,12,15H,3-7H2,1-2H3,(H2,19,20)(H,21,28)(H,30,31);2*1H


name: Dihydroguaiaretic acid
cas: 66322-34-7
chemspiderid: 142212
formula: C20H26O4
inchikey: ADFOLUXMYYCTRR-UHFFFAOYNA-N
norman_susdat_id: NS00067897
pubchem_cid: 476856
inchi:
InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14+


name: 4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}naphthalen-1-ol
cas: 66322-66-5
chebiid: CHEBI:168939
chemspiderid: 82678
dtxsid: DTXSID70893062
formula: C16H21N1O3
inchikey: CWEPACWBWIOYID-UHFFFAOYSA-N
norman_susdat_id: NS00009574
pubchem_cid: 91565
smiles: CC(C)NCC(O)COc1ccc(O)c2ccccc12
inchi:
InChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-7-15(19)13-5-3-4-6-14(13)16/h3-8,11-12,17-19H,9-10H2,1-2H3


name: 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Hexacosafluorotridec-1-ene
cas: 66325-97-1
dtxsid: DTXSID60895515
formula: C13F26
inchikey: SAUHTGPUGJWMNX-UHFFFAOYSA-N
norman_susdat_id: NS00111051
smiles: FC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13F26/c14-1(2(15)16)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)39


name: Fuzlocillin
cas: 66327-51-3
chemspiderid: 7845545
formula: C25H26N6O8S1
inchikey: YSUBQYRZZFVMTL-YNDGFOBUSA-N
norman_susdat_id: NS00011631
pubchem_cid: 9571079
smiles: O=C(O)[C@@H]4N5C(=O)[C@@H](NC(=O)[C@@H](c1ccc(O)cc1)NC(=O)N3C(=O)N(/N=C/c2occc2)CC3)[C@H]5SC4(C)C
inchi:
InChI=1S/C25H26N6O8S/c1-25(2)18(22(35)36)31-20(34)17(21(31)40-25)27-19(33)16(13-5-7-14(32)8-6-13)28-23(37)29-9-10-30(24(29)38)26-12-15-4-3-11-39-15/h3-8,11-12,16-18,21,32H,9-10H2,1-2H3,(H,27,33)(H,28,37)(H,35,36)/b26-12+/t16-,17-,18+,21-/m1/s1


cas: 66327-55-7
dtxsid: DTXSID70897404
formula: C27H26O7S2
inchikey: NMYFGCSSOCVHPU-UHFFFAOYSA-N
norman_susdat_id: NS00053838
pubchem_cid: 171778
smiles: O=S(=O)([O-])C=1C=CC2=CC=C(C=C2C1C(C)CC)CC3=CC(=CC=C3O)S(=O)(=O)C4=CC=C(O)C=C4.[NH4+]
name:
Ammonium 7-[[2-hydroxy-5-[(4-hydroxyphenyl)sulphonyl]phenyl]methyl](1-methylpropyl)naphthalene-2-sulphonate

inchi:
InChI=1/C27H26O7S2.H3N/c1-3-17(2)27-24-15-18(4-5-19(24)6-13-26(27)36(32,33)34)14-20-16-23(11-12-25(20)29)35(30,31)22-9-7-21(28)8-10-22;/h4-13,15-17,28-29H,3,14H2,1-2H3,(H,32,33,34);1H3


name: 2-methoxyphenyl 2-(4-isobutylphenyl)propionate
cas: 66332-77-2
chebiid: CHEBI:135336
dtxsid: DTXSID10984948
formula: C20H24O3
inchikey: FVRWRGBTEHAPDI-UHFFFAOYSA-N
norman_susdat_id: NS00053761
pubchem_cid: 4464271
smiles: O=C(OC=1C=CC=CC1OC)C(C2=CC=C(C=C2)CC(C)C)C
inchi:
InChI=1/C20H24O3/c1-14(2)13-16-9-11-17(12-10-16)15(3)20(21)23-19-8-6-5-7-18(19)22-4/h5-12,14-15H,13H2,1-4H3


name: Flutolanil
cas: 66332-96-5
chebiid: CHEBI:81792
chemspiderid: 43579
dtxsid: DTXSID8024109
formula: C17H16F3N1O2
inchikey: PTCGDEVVHUXTMP-UHFFFAOYSA-N
norman_susdat_id: NS00009245
pubchem_cid: 47898
smiles: CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
inchi:
InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)


name: Ethyl (Z)-a-(hydroxyimino)-2-(tritylamino)thiazol-4-acetate hydrochloride
cas: 66339-00-2
formula: C26H23N3O3S
inchikey: POPNOGAIIMCRTH-MBANDDHJSA-N
norman_susdat_id: NS00053839
pubchem_cid: 9589415
smiles: Cl.O=C(OCC)C(=NO)C=1N=C(SC1)NC(C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C26H23N3O3S.ClH/c1-2-32-24(30)23(29-31)22-18-33-25(27-22)28-26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18,31H,2H2,1H3,(H,27,28);1H


name: Disodium 5-amino-2-[2-(4-nitro-2-sulphonatophenyl)vinyl]benzenesulphonate
cas: 6634-82-8
formula: C14H12N2O8S2.2Na
inchikey: RXYPPHDUSQFWID-SEPHDYHBSA-L
norman_susdat_id: NS00081747
smiles: [Na+].[Na+].Nc1ccc(\C=C\c2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-])c(c1)S(=O)(=O)[O-]
inchi:
InChI=1/C14H12N2O8S2.2Na/c15-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(16(17)18)8-14(10)26(22,23)24;;/h1-8H,15H2,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2


name: a-tert-butyl-ß-[(4-chlorophenyl)methyl]-1H-triazol-1-ethanol
cas: 66346-04-1
dtxsid: DTXSID2024242
formula: C15H20ClN3O
inchikey: FDZWGKUPMDJLAJ-UHFFFAOYSA-N
norman_susdat_id: NS00053841
pubchem_cid: 20838651
smiles: ClC1=CC=C(C=C1)CC(N2N=NC=C2)C(O)C(C)(C)C
inchi:
InChI=1/C15H20ClN3O/c1-15(2,3)14(20)13(19-9-8-17-18-19)10-11-4-6-12(16)7-5-11/h4-9,13-14,20H,10H2,1-3H3


name: Ranitidine
cas: 66357-35-5
chebiid: CHEBI:8776
chemspiderid: 2272523
dtxsid: DTXSID8045191
formula: C13H22N4O3S1
inchikey: VMXUWOKSQNHOCA-UKTHLTGXSA-N
norman_susdat_id: NS00000209
pubchem_cid: 3001055
smiles: CNC(NCCSCC1=CC=C(CN(C)C)O1)=C/[N+]([O-])=O
inchi:
InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+


cas: 6637-87-2
dtxsid: DTXSID30889567
formula: C28H20N9O16S2
inchikey: SKCQDFLBBMGDPT-UHFFFAOYSA-L
norman_susdat_id: NS00047205
pubchem_cid: NA
name:
Disodium 4-[[2,4-dihydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)azo]-3-[(4-nitrophenyl)azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C28H17N9O16S2.2Na/c38-23-10-17(55(51,52)53)6-12-5-16(54(48,49)50)9-18(24(12)23)30-32-20-11-21(33-31-19-7-15(36(44)45)8-22(26(19)39)37(46)47)28(41)25(27(20)40)34-29-13-1-3-14(4-2-13)35(42)43;;/h1-11,38-41H,(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(O)=C(N=NC=3C=C(C=C(C3O)[N+](=O)[O-])[N+](=O)[O-])C=C(N=NC=4C=C(C=C5C=C(C=C(O)C45)S(=O)(=O)[O-])S(=O)(=O)[O-])C2O)C=C1


cas: 6637-88-3
dtxsid: DTXSID8025202
formula: C28H26N6O6S
inchikey: VHGDEGWDHMWQLR-UHFFFAOYSA-L
norman_susdat_id: NS00045924
pubchem_cid: 23125
name:
Disodium 5-[[4'-[(2,6-diamino-3-methyl-5-sulphonatophenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C28H26N6O6S.2Na/c1-14-10-17(4-7-21(14)32-31-19-6-9-23(35)20(13-19)28(36)37)18-5-8-22(15(2)11-18)33-34-27-25(29)16(3)12-24(26(27)30)41(38,39)40;;/h4-13,35H,29-30H2,1-3H3,(H,36,37)(H,38,39,40);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2C)C3=CC=C(N=NC=4C(N)=C(C=C(C4N)S(=O)(=O)[O-])C)C(=C3)C)=CC=C1O


name: 2-(6-methoxybenzoxazol-2-yl)-1,3-dimethyl-1H-benzimidazolium methyl sulphate
cas: 66371-08-2
dtxsid: DTXSID10985011
formula: C17H17N3O2
inchikey: BJSXXSRDYQSJBF-UHFFFAOYSA-N
norman_susdat_id: NS00053348
pubchem_cid: 21124186
smiles: O=S(=O)([O-])OC.N=1C=2C=CC(OC)=CC2OC1C3N(C=4C=CC=CC4[NH+]3C)C
inchi:
InChI=1/C17H17N3O2.CH4O4S/c1-19-13-6-4-5-7-14(13)20(2)17(19)16-18-12-9-8-11(21-3)10-15(12)22-16;1-5-6(2,3)4/h4-10,17H,1-3H3;1H3,(H,2,3,4)


name: 4,4-dimethyloxazolidinium toluenesulphonate
cas: 66375-36-8
formula: C7H8O3S.C5H11NO
inchikey: RGJCMMCMGCMXGB-UHFFFAOYSA-N
norman_susdat_id: NS00086834
smiles: Cc1ccccc1S(=O)(=O)[O-].CC2(C)COC[NH2+]2
inchi:
InChI=1/C7H8O3S.C5H11NO/c1-6-4-2-3-5-7(6)11(8,9)10;1-5(2)3-7-4-6-5/h2-5H,1H3,(H,8,9,10);6H,3-4H2,1-2H3


name: Dipotassium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate
cas: 66375-37-9
formula: C21H36O4.2K
inchikey: WEHLQEBKDGJWEI-UHFFFAOYSA-L
norman_susdat_id: NS00086736
smiles: [K+].[K+].CCCCCCC1C=CC(CCCCCCCC(=O)[O-])CC1C(=O)[O-]
inchi:
InChI=1/C21H36O4.2K/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);;/q;2*+1/p-2


cas: 6638-02-4
dtxsid: DTXSID5048001
formula: C37H37N2O6S2
inchikey: SRRJCDUOSQWHGS-UHFFFAOYSA-N
norman_susdat_id: NS00046695
pubchem_cid: 73226
name:
Hydrogen (ethyl)[4-[[4-[ethyl(3-sulphonatobenzyl)amino]phenyl]phenylmethylene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium

inchi:
InChI=1/C37H36N2O6S2.H2/c1-3-38(26-28-10-8-14-35(24-28)46(40,41)42)33-20-16-31(17-21-33)37(30-12-6-5-7-13-30)32-18-22-34(23-19-32)39(4-2)27-29-11-9-15-36(25-29)47(43,44)45;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);1H/q;+1/p-1

smiles:
[H+].O=S(=O)([O-])C=1C=CC=C(C1)CN(C2=CC=C(C=C2)C(C=3C=CC=CC3)=C4C=CC(C=C4)=[N+](CC5=CC=CC(=C5)S(=O)(=O)[O-])CC)CC


name: 17 alpha Dihydroequilin
cas: 6639-99-2
chebiid: CHEBI:34178
chemspiderid: 194598
formula: C18H20O2
inchikey: RYWZPRVUQHMJFF-KSZLIROESA-N
norman_susdat_id: NS00003851
pubchem_cid: 223998
smiles: C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O
inchi:
InChI=1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16-17,19-20H,6-9H2,1H3/t16-,17+,18-/m0/s1


name: Annofoline
cas: 664-23-3
chemspiderid: 30791171
dtxsid: DTXSID00420148
formula: C16H25NO2
inchikey: KYIYXWHVYGBAKF-YIXJMHAVSA-N
norman_susdat_id: NS00094613
pubchem_cid: 5462440
smiles: C[C@@H]1C[C@]23[C@@H]4CCCN2CCC[C@@H]3[C@@H](C[C@H]4O)C1=O
inchi:
InChI=1S/C16H25NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h10-14,18H,2-9H2,1H3/t10-,11-,12-,13-,14-,16-/m1/s1


name: Acrifoline
cas: 664-24-4
chemspiderid: 20049402
dtxsid: DTXSID00420087
formula: C16H23NO2
inchikey: NKDOONPOQHRNLY-PSDNQQDLSA-N
norman_susdat_id: NS00094612
pubchem_cid: 5460437
smiles: C[C@@H]1C[C@]23[C@@H]4CCCN2CCC=C3[C@@H](C[C@H]4O)C1=O
inchi:
InChI=1S/C16H23NO2/c1-10-9-16-12-4-2-6-17(16)7-3-5-13(16)14(18)8-11(12)15(10)19/h4,10-11,13-14,18H,2-3,5-9H2,1H3/t10-,11-,13-,14-,16-/m1/s1


name: Methyl (16R)-17-hydroxy-1-methylsarpagan-16-carboxylate
cas: 664-25-5
formula: C22H26N2O3
inchikey: IWEYXWIPVZEVPT-LQTKWWQISA-N
norman_susdat_id: NS00042305
pubchem_cid: 99116
smiles: O=C(OC)C1(CO)C2C(=CC)CN3C(C4=C(C=5C=CC=CC5N4C)CC31)C2
inchi:
InChI=1/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3


name: Glycyclamide
cas: 664-95-9
chebiid: CHEBI:135251
chemspiderid: 12107
dtxsid: DTXSID5046273
formula: C14H20N2O3S1
inchikey: RIGBPMDIGYBTBJ-UHFFFAOYSA-N
norman_susdat_id: NS00036043
pubchem_cid: 12628
smiles: Cc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
inchi:
InChI=1S/C14H20N2O3S/c1-11-7-9-13(10-8-11)20(18,19)16-14(17)15-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,15,16,17)


name: Ditetradecyl hydrogen phosphate
cas: 6640-03-5
dtxsid: DTXSID3064437
formula: C28H59O4P
inchikey: CYFHLEMYBPQRGN-UHFFFAOYSA-N
norman_susdat_id: NS00045925
pubchem_cid: 81145
smiles: O=P(O)(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC
inchi:
InChI=1/C28H59O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-33(29,30)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3,(H,29,30)


name: 5-(phenylmethoxy)-1H-indole-2-carboxylic acid
cas: 6640-09-1
dtxsid: DTXSID20216621
formula: C16H13NO3
inchikey: MVCLSAMNMAWXFQ-UHFFFAOYSA-N
norman_susdat_id: NS00046696
pubchem_cid: 81146
smiles: O=C(O)C1=CC=2C=C(OCC=3C=CC=CC3)C=CC2N1
inchi:
InChI=1/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)


cas: 66407-58-7
dtxsid: DTXSID9070458
formula: C47H82N2O10
inchikey: RIWIZVPBRWHTDZ-UHFFFAOYSA-M
norman_susdat_id: NS00052963
pubchem_cid: 21118180
name:
Isopropylidenedicyclohexane-4,1-diylbis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undec-3-yl)methyl] carbonate

inchi:
InChI=1/C47H82N2O10/c1-13-44(27-54-46(55-28-44)23-39(3,4)48-40(5,6)24-46)35(58-37(50)51)31-15-19-33(20-16-31)43(11,12)34-21-17-32(18-22-34)36(59-38(52)53)45(14-2)29-56-47(57-30-45)25-41(7,8)49-42(9,10)26-47/h31-36,48-49H,13-30H2,1-12H3,(H,50,51)(H,52,53)/p-1

smiles:
O=C([O-])OC(C1CCC(CC1)C(C)(C)C2CCC(CC2)C(OC(=O)O)C3(COC4(OC3)CC(NC(C)(C)C4)(C)C)CC)C5(COC6(OC5)CC(NC(C)(C)C6)(C)C)CC


name: 7-(N,N-Dimethylsulphamoyl)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid
cas: 66410-49-9
chemspiderid: 4957587
dtxsid: DTXSID90216633
formula: C11H13N1O6S1
inchikey: ZRISRDUHJZSFSK-UHFFFAOYSA-N
norman_susdat_id: NS00036031
pubchem_cid: 6455318
smiles: CN(C)S(=O)(=O)c1cc(C(=O)O)c2OCCOc2c1
inchi:
InChI=1S/C11H13NO6S/c1-12(2)19(15,16)7-5-8(11(13)14)10-9(6-7)17-3-4-18-10/h5-6H,3-4H2,1-2H3,(H,13,14)


cas: 66410-51-3
dtxsid: DTXSID30985073
formula: C17H25N3O5S
inchikey: JTKAQKREMDVCLQ-UHFFFAOYSA-N
norman_susdat_id: NS00052571
pubchem_cid: 6455319
smiles: O=C(NCC1N(C)CCC1)C2=CC(=CC=3OCCOC32)S(=O)(=O)N(C)C
name:
7-(N,N-dimethylsulphamoyl)-2,3-dihydro-N-[(1-methyl-2-pyrrolidinyl)methyl]-1,4-benzodioxin-5-carboxamide

inchi:
InChI=1/C17H25N3O5S/c1-19(2)26(22,23)13-9-14(16-15(10-13)24-7-8-25-16)17(21)18-11-12-5-4-6-20(12)3/h9-10,12H,4-8,11H2,1-3H3,(H,18,21)


name: 3,4-Dihydro-8-((methylamino)sulphonyl)-2H-benzo-1,5-dioxepin-6-carboxylic acid
cas: 66410-82-0
chemspiderid: 4957591
dtxsid: DTXSID30216637
formula: C11H13N1O6S1
inchikey: NVPVEVRROMBZSH-UHFFFAOYSA-N
norman_susdat_id: NS00036035
pubchem_cid: 6455322
smiles: CNS(=O)(=O)c1cc(C(=O)O)c2OCCCOc2c1
inchi:
InChI=1S/C11H13NO6S/c1-12-19(15,16)7-5-8(11(13)14)10-9(6-7)17-3-2-4-18-10/h5-6,12H,2-4H2,1H3,(H,13,14)


name: Labriformidin
cas: 66419-08-7
chebiid: CHEBI:6345
chemspiderid: 441861
formula: C29H36O11
inchikey: WSTYKMSHUMUSAY-HBXZBPGDSA-N
norman_susdat_id: NS00093744
pubchem_cid: 3904337
smiles:
C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3C[C@@H]4C[C@H]5[C@]6(O5)[C@@H]([C@]4(C[C@H]3O2)C)[C@@H](C(=O)[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)O


name: Eriocarpin
cas: 66419-09-8
chebiid: CHEBI:4830
chemspiderid: 441858
formula: C29H38O11
inchikey: FKJNCBGJYUAKQQ-MBVMSADQSA-N
norman_susdat_id: NS00093743
pubchem_cid: 390434
smiles:
C[C@@H]1C[C@H]([C@]2([C@@H](O1)O[C@@H]3C[C@@H]4C[C@H]5[C@]6(O5)[C@@H]([C@]4(C[C@H]3O2)C)[C@@H](C(=O)[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)O)O


name: 4-chloro-a,a'-bis(5-chloro-2-hydroxyphenyl)-2,6-xylenol
cas: 6642-07-5
dtxsid: DTXSID6041505
formula: C20H15Cl3O3
inchikey: FXHQZEJEBWTOJA-UHFFFAOYSA-N
norman_susdat_id: NS00047226
pubchem_cid: 62616
smiles: ClC1=CC=C(O)C(=C1)CC2=CC(Cl)=CC(=C2O)CC3=CC(Cl)=CC=C3O
inchi:
InChI=1/C20H15Cl3O3/c21-15-1-3-18(24)11(7-15)5-13-9-17(23)10-14(20(13)26)6-12-8-16(22)2-4-19(12)25/h1-4,7-10,24-26H,5-6H2


name: 13a-Hydroxylupanin
cas: 6642-48-4
chemspiderid: 66121
formula: C15H24N2O2
inchikey: JVYKIBAJVKEZSQ-YHQUGGNUSA-N
norman_susdat_id: NS00066965
pubchem_cid: 73404
smiles: C1C[C@@H]2[C@H]3C[C@@H](CN2C(=O)C1)[C@@H]4C[C@H](CCN4C3)O
inchi:
InChI=1S/C15H24N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h10-14,18H,1-9H2/t10-,11-,12-,13+,14-/m0/s1


name: Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate
cas: 66423-13-0
chemspiderid: 4957594
dtxsid: DTXSID00216644
formula: C18H27Cl1O3
inchikey: QWQMRXFSCXUHMR-OAHLLOKOSA-N
norman_susdat_id: NS00003605
pubchem_cid: 6455325
smiles: CCCCCCCCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1C
inchi:
InChI=1S/C18H27ClO3/c1-4-5-6-7-8-9-12-21-18(20)15(3)22-17-11-10-16(19)13-14(17)2/h10-11,13,15H,4-9,12H2,1-3H3/t15-/m1/s1


cas: 66432-83-5
dtxsid: DTXSID00896420
formula: C17H7F17O3
inchikey: IQHBQABYZVSJRR-UHFFFAOYSA-N
norman_susdat_id: NS00109057
smiles: COC(=O)c1ccc(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1
name:
Methyl 4-{[1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy}benzoate

inchi:
InChI=1S/C17H7F17O3/c1-36-10(35)6-2-4-7(5-3-6)37-9(13(20,21)22)8(11(18,14(23,24)25)15(26,27)28)12(19,16(29,30)31)17(32,33)34/h2-5H,1H3


name: Ethyl 2-[4-[(6-chlorobenzothiazol-2-yl)oxy]phenoxy]propionate
cas: 66441-11-0
dtxsid: DTXSID30985098
formula: C18H16ClNO4S
inchikey: HVCNNTAUBZIYCG-UHFFFAOYSA-N
norman_susdat_id: NS00053073
pubchem_cid: 56716
smiles: O=C(OCC)C(OC1=CC=C(OC2=NC=3C=CC(Cl)=CC3S2)C=C1)C
inchi:
InChI=1/C18H16ClNO4S/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3


name: 7-Leucylamido-4-methylcoumarin
cas: 66447-31-2
chemspiderid: 150175
dtxsid: DTXSID90216678
formula: C16H20N2O3
inchikey: GTAAIHRZANUVJS-ZDUSSCGKSA-N
norman_susdat_id: NS00036040
pubchem_cid: 171787
smiles: CC(C)C[C@H](N)C(=O)Nc1cc2c(cc1)c(C)cc(=O)o2
inchi:
InChI=1S/C16H20N2O3/c1-9(2)6-13(17)16(20)18-11-4-5-12-10(3)7-15(19)21-14(12)8-11/h4-5,7-9,13H,6,17H2,1-3H3,(H,18,20)/t13-/m0/s1


name: (carboxymethyl)dimethyl(1-oxooctadecyl)ammonium hydroxide
cas: 66451-68-1
dtxsid: DTXSID00985101
formula: C22H44NO3
inchikey: FLBSTBFNHMWAQO-UHFFFAOYSA-N
norman_susdat_id: NS00052573
pubchem_cid: 3017676
smiles: [OH-].O=C(O)C[N+](C(=O)CCCCCCCCCCCCCCCCC)(C)C
inchi:
InChI=1/C22H43NO3.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23(2,3)20-22(25)26;/h4-20H2,1-3H3;1H2


name: Emodin-8-o-beta-gentiobioside
cas: 66466-22-6
chemspiderid: 32701362
dtxsid: DTXSID20216681
formula: C27H30O15
inchikey: CAWCIUJVWYETGQ-ONMHTNRHSA-N
norman_susdat_id: NS00094654
pubchem_cid: 71587230
inchi:
InChI=1S/C27H30O15/c1-8-2-10-16(12(30)3-8)21(34)17-11(18(10)31)4-9(29)5-13(17)40-27-25(38)23(36)20(33)15(42-27)7-39-26-24(37)22(35)19(32)14(6-28)41-26/h2-5,14-15,19-20,22-30,32-33,35-38H,6-7H2,1H3/t14-,15-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1

smiles:
CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)C2=O


name: 1H-Naphth[2,3-f]isoindole-1,5,10-trione, 4,11-diamino-2-(2-ethoxyethyl)-2,3-dihydro-3-imino-
cas: 6647-13-8
chemspiderid: 73219
dtxsid: DTXSID3064439
formula: C20H18N4O4
inchikey: WYZSBSMGZHFJJH-UHFFFAOYSA-N
norman_susdat_id: NS00022642
pubchem_cid: 81153
smiles: CCOCCn1c(=N)c2c(N)c3c(c(N)c2c1=O)c(=O)c1c(cccc1)c3=O
inchi:
InChI=1S/C20H18N4O4/c1-2-28-8-7-24-19(23)13-14(20(24)27)16(22)12-11(15(13)21)17(25)9-5-3-4-6-10(9)18(12)26/h3-6,23H,2,7-8,21-22H2,1H3/b23-19+


name: 4,11-Diamino-2-(2-methylpropyl)-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone
cas: 6647-27-4
chemspiderid: 73220
dtxsid: DTXSID80216682
formula: C20H17N3O4
inchikey: HDKCUVFLXISKKK-UHFFFAOYSA-N
norman_susdat_id: NS00036042
pubchem_cid: 81154
smiles: CC(C)Cn1c(=O)c2c(c1=O)c(N)c1c(=O)c3c(cccc3)c(=O)c1c2N
inchi:
InChI=1S/C20H17N3O4/c1-8(2)7-23-19(26)13-14(20(23)27)16(22)12-11(15(13)21)17(24)9-5-3-4-6-10(9)18(12)25/h3-6,8H,7,21-22H2,1-2H3


name: 4,9-Dioxo-3,5,10-trioxa-8-azatridec-12-en-1-yl methacrylate
cas: 66470-38-0
chemspiderid: 4957597
dtxsid: DTXSID40216683
formula: C13H19N1O7
inchikey: KVWLRDVRAFLQPD-UHFFFAOYSA-N
norman_susdat_id: NS00036041
pubchem_cid: 6455328
smiles: CC(=C)C(=O)OCCOC(=O)OCCNC(=O)OCC=C
inchi:
InChI=1S/C13H19NO7/c1-4-6-19-12(16)14-5-7-20-13(17)21-9-8-18-11(15)10(2)3/h4H,1-2,5-9H2,3H3,(H,14,16)


name: Alamethicin
cas: 66473-80-1
chemspiderid: 17288702
dtxsid: DTXSID40893675
formula: C92H150N22O25
inchikey: LGHSQOCGTJHDIL-UTXLBGCNSA-N
norman_susdat_id: NS00011839
pubchem_cid: 101176697
inchi:
InChI=1S/C92H150N22O25/c1-47(2)43-58(72(127)108-92(24,25)84(139)113-41-29-33-59(113)73(128)103-65(48(3)4)75(130)111-90(20,21)82(137)112-89(18,19)80(135)102-56(37-40-64(120)121)70(125)101-55(35-38-61(93)117)69(124)98-54(46-115)44-53-31-27-26-28-32-53)99-63(119)45-95-77(132)85(10,11)110-76(131)66(49(5)6)104-81(136)88(16,17)107-71(126)57(36-39-62(94)118)100-67(122)50(7)96-78(133)86(12,13)106-68(123)51(8)97-79(134)87(14,15)109-74(129)60-34-30-42-114(60)83(138)91(22,23)105-52(9)116/h26-28,31-32,47-51,54-60,65-66,115H,29-30,33-46H2,1-25H3,(H2,93,117)(H2,94,118)(H,95,132)(H,96,133)(H,97,134)(H,98,124)(H,99,119)(H,100,122)(H,101,125)(H,102,135)(H,103,128)(H,104,136)(H,105,116)(H,106,123)(H,107,126)(H,108,127)(H,109,129)(H,110,131)(H,111,130)(H,112,137)(H,120,121)/t50-,51-,54-,55-,56-,57-,58-,59-,60-,65-,66-/m0/s1

smiles:
C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc2ccccc2)CO)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@@H]3CCCN3C(=O)C(C)(C)NC(=O)C


name: Cefivitril
cas: 66474-36-0
chemspiderid: 4947757
formula: C15H15N7O4S3
inchikey: JXHWKLWIYBATLL-GMIKGCRTSA-N
norman_susdat_id: NS00011601
pubchem_cid: 6443795
smiles: Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CS/C=CC#N)SC2)C(=O)O
inchi:
InChI=1S/C15H15N7O4S3/c1-21-15(18-19-20-21)29-6-8-5-28-13-10(12(24)22(13)11(8)14(25)26)17-9(23)7-27-4-2-3-16/h2,4,10,13H,5-7H2,1H3,(H,17,23)(H,25,26)/b4-2-/t10-,13-/m1/s1


name: 4-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl)amino]phenyl dimethylsulphamate
cas: 6648-62-0
dtxsid: DTXSID60884323
formula: C22H18N2O6S
inchikey: JZYBRLDDDCKRCY-UHFFFAOYSA-N
norman_susdat_id: NS00047227
pubchem_cid: 21115731
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(O)C13)NC4=CC=C(OS(=O)(=O)N(C)C)C=C4
inchi:
InChI=1/C22H18N2O6S/c1-24(2)31(28,29)30-14-9-7-13(8-10-14)23-17-11-12-18(25)20-19(17)21(26)15-5-3-4-6-16(15)22(20)27/h3-12,23,25H,1-2H3


name: ETHYLHEXYLGLYCERYL BEHENATE
cas: 66486-85-9
chemspiderid: 13112385
formula: C33H66O4
inchikey: OTRUEIQBIGHSMI-UHFFFAOYSA-N
norman_susdat_id: NS00013680
pubchem_cid: 15980983
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)COCC(CC)CCCC
inchi:
InChI=1S/C33H66O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-33(35)37-30-32(34)29-36-28-31(6-3)26-8-5-2/h31-32,34H,4-30H2,1-3H3


name: Dibutoxydichlorostannane
cas: 66499-05-6
dtxsid: DTXSID40985125
formula: C8H18Cl2O2Sn
inchikey: LGXWTBCZNQFBEL-UHFFFAOYSA-L
norman_susdat_id: NS00053922
pubchem_cid: NA
smiles: Cl[Sn](Cl)(OCCCC)OCCCC
inchi:
InChI=1/2C4H9O.2ClH.Sn/c2*1-2-3-4-5;;;/h2*2-4H2,1H3;2*1H;/q2*-1;;;+4/p-2/rC8H18Cl2O2Sn/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3


name: Silver(1+) tetracosanoate
cas: 66502-42-9
formula: C24H48O2.Ag
inchikey: LPYHADGLCYWDNC-UHFFFAOYSA-M
norman_susdat_id: NS00086267
smiles: [Ag+].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C24H48O2.Ag/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;/h2-23H2,1H3,(H,25,26);/q;+1/p-1


name: Tridocosylaluminium
cas: 6651-25-8
formula: C66H135Al
inchikey: HRVAYBZZZHAVCT-UHFFFAOYSA-N
norman_susdat_id: NS00082168
smiles: CCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/3C22H45.Al/c3*1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;/h3*1,3-22H2,2H3;/rC66H135Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67(65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-66H2,1-3H3


name: Tritetracosylaluminium
cas: 6651-26-9
formula: C72H147Al
inchikey: MKWOCFYVIMOMNG-UHFFFAOYSA-N
norman_susdat_id: NS00082169
smiles: CCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/3C24H49.Al/c3*1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2;/h3*1,3-24H2,2H3;/rC72H147Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-70-73(71-68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)72-69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-72H2,1-3H3


name: Trioctacosylaluminium
cas: 6651-27-0
formula: C84H171Al
inchikey: MCJULJJJLMTEFE-UHFFFAOYSA-N
norman_susdat_id: NS00082170
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCC[Al](CCCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/3C28H57.Al/c3*1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3*1,3-28H2,2H3;/rC84H171Al/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-70-73-76-79-82-85(83-80-77-74-71-68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)84-81-78-75-72-69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-84H2,1-3H3


name: Propacetamol
cas: 66532-85-2
chebiid: CHEBI:135089
chemspiderid: 62097
dtxsid: DTXSID3057800
formula: C14H20N2O3
inchikey: QTGAJCQTLIRCFL-UHFFFAOYSA-N
norman_susdat_id: NS00010541
pubchem_cid: 68865
smiles: CCN(CC)CC(=O)OC1=CC=C(C=C1)NC(=O)C
inchi:
InChI=1S/C14H20N2O3/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17/h6-9H,4-5,10H2,1-3H3,(H,15,17)


name: 4-acetamidophenyl N,N-diethylaminoacetate monohydrochloride
cas: 66532-86-3
formula: C14H20N2O3.ClH
inchikey: WGTYJNGARJPYKG-UHFFFAOYSA-N
norman_susdat_id: NS00085946
smiles: Cl.CCN(CC)CC(=O)Oc1ccc(NC(=O)C)cc1
inchi:
InChI=1/C14H20N2O3.ClH/c1-4-16(5-2)10-14(18)19-13-8-6-12(7-9-13)15-11(3)17;/h6-9H,4-5,10H2,1-3H3,(H,15,17);1H


name: N-(2,3-dihydro-1-methoxy-1H-inden-2-yl)-N',N'-diethyl-N-phenylpropane-1,3-diamine fumarate
cas: 66533-10-6
formula: C23H32N2O
inchikey: KLPXFDKQTWVTEM-WLHGVMLRSA-N
norman_susdat_id: NS00053125
pubchem_cid: 6455336
smiles: O=C(O)C=CC(=O)O.O(C)C1C=2C=CC=CC2CC1N(C=3C=CC=CC3)CCCN(CC)CC
inchi:
InChI=1/C23H32N2O.C4H4O4/c1-4-24(5-2)16-11-17-25(20-13-7-6-8-14-20)22-18-19-12-9-10-15-21(19)23(22)26-3;5-3(6)1-2-4(7)8/h6-10,12-15,22-23H,4-5,11,16-18H2,1-3H3;1-2H,(H,5,6)(H,7,8)


name: Thiobis[2-tert-butyl-5-methyl-4,1-phenylene] 3-(laurylthio)propionate
cas: 66534-05-2
chemspiderid: 95032
dtxsid: DTXSID3070464
formula: C52H86O4S3
inchikey: MILWQXYAFKWZBP-UHFFFAOYSA-N
norman_susdat_id: NS00036046
pubchem_cid: 105368
smiles: CCCCCCCCCCCCSCCC(=O)Oc1c(cc(Sc2cc(c(OC(=O)CCSCCCCCCCCCCCC)cc2C)C(C)(C)C)c(C)c1)C(C)(C)C
inchi:
InChI=1S/C52H86O4S3/c1-11-13-15-17-19-21-23-25-27-29-33-57-35-31-49(53)55-45-37-41(3)47(39-43(45)51(5,6)7)59-48-40-44(52(8,9)10)46(38-42(48)4)56-50(54)32-36-58-34-30-28-26-24-22-20-18-16-14-12-2/h37-40H,11-36H2,1-10H3


name: Naphthalene-1,3,5-trisulphonic acid
cas: 6654-64-4
chebiid: CHEBI:36334
dtxsid: DTXSID20985148
formula: C10H8O9S3
inchikey: INMHJULHWVWVFN-UHFFFAOYSA-N
norman_susdat_id: NS00045948
pubchem_cid: 81165
smiles: O=S(=O)(O)C=1C=C2C(C=CC=C2S(=O)(=O)O)=C(C1)S(=O)(=O)O
inchi:
InChI=1/C10H8O9S3/c11-20(12,13)6-4-8-7(10(5-6)22(17,18)19)2-1-3-9(8)21(14,15)16/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)


name: N-[[4-[[2-(acetylamino)-4-(diethylamino)phenyl]azo]phenyl]sulphonyl]acetamide
cas: 66543-04-2
formula: C20H25N5O4S
inchikey: WADCGQGEVMAPLW-UHFFFAOYSA-N
norman_susdat_id: NS00053973
pubchem_cid: 3017685
smiles: O=C(NC1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)NC(=O)C)N(CC)CC)C
inchi:
InChI=1/C20H25N5O4S/c1-5-25(6-2)17-9-12-19(20(13-17)21-14(3)26)23-22-16-7-10-18(11-8-16)30(28,29)24-15(4)27/h7-13H,5-6H2,1-4H3,(H,21,26)(H,24,27)


name: Tris(2-methylpropyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate
cas: 66543-80-4
dtxsid: DTXSID10985152
formula: C20H34O8
inchikey: KCCLEAUZFNBELO-UHFFFAOYSA-N
norman_susdat_id: NS00053148
pubchem_cid: 3017686
smiles: O=C(OC(C(=O)OCC(C)C)(CC(=O)OCC(C)C)CC(=O)OCC(C)C)C
inchi:
InChI=1/C20H34O8/c1-13(2)10-25-17(22)8-20(28-16(7)21,19(24)27-12-15(5)6)9-18(23)26-11-14(3)4/h13-15H,8-12H2,1-7H3


name: 2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-5-nitrobenzonitrile
cas: 66545-42-4
formula: C20H21N6O2
inchikey: OWNXXHQPYXAOHS-UHFFFAOYSA-N
norman_susdat_id: NS00052643
pubchem_cid: 3017687
smiles: N#CC1=CC(=CC=C1N=NC2=CC=C(C=C2)N(CCC#N)CCCC)[N+](=O)[O-]
inchi:
InChI=1/C20H20N6O2/c1-2-3-12-25(13-4-11-21)18-7-5-17(6-8-18)23-24-20-10-9-19(26(27)28)14-16(20)15-22/h5-10,14H,2-4,12-13H2,1H3


name: 2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-(2-methylphenyl)-
cas: 6655-84-1
chemspiderid: 4403288
dtxsid: DTXSID7064443
formula: C30H37N1O1P1S2
inchikey: NWDMDFAMCIHORB-UHFFFAOYSA-N
norman_susdat_id: NS00021321
pubchem_cid: NA
smiles: CCCCSC(=C(NC(=O)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)SCCCC
inchi:
InChI=1S/C30H36NOPS2/c1-4-6-23-34-30(35-24-7-5-2)29(31-25(3)32)33(26-17-11-8-12-18-26,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h8-22H,4-7,23-24H2,1-3H3/p+1


cas: 6655-95-4
dtxsid: DTXSID90889568
formula: C50H40N6O16S2
inchikey: VOKDSCNEKOORBR-UHFFFAOYSA-J
norman_susdat_id: NS00045949
pubchem_cid: 16131137
name:
Tetrasodium 2,2'-[[4,4'-bis[[1-hydroxy-6-[(4-methoxyphenyl)amino]-3-sulphonato-2-naphthyl]azo][1,1'-biphenyl]-3,3'-diyl]bis(oxy)]diacetate

inchi:
InChI=1/C50H40N6O16S2.4Na/c1-69-35-11-5-31(6-12-35)51-33-9-15-37-29(19-33)23-43(73(63,64)65)47(49(37)61)55-53-39-17-3-27(21-41(39)71-25-45(57)58)28-4-18-40(42(22-28)72-26-46(59)60)54-56-48-44(74(66,67)68)24-30-20-34(10-16-38(30)50(48)62)52-32-7-13-36(70-2)14-8-32;;;;/h3-24,51-52,61-62H,25-26H2,1-2H3,(H,57,58)(H,59,60)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])COC1=CC(=CC=C1N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC4=CC=C(OC)C=C4)C5=CC=C(N=NC=6C(O)=C7C=CC(=CC7=CC6S(=O)(=O)[O-])NC8=CC=C(OC)C=C8)C(OCC(=O)[O-])=C5


cas: 6655-96-5
formula: C40H31N5O13S3
inchikey: IPLMDVUXIBTTFD-UHFFFAOYSA-K
norman_susdat_id: NS00047228
pubchem_cid: NA
name:
Trisodium 8-hydroxy-7-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-1,6-disulphonate

inchi:
InChI=1/C40H31N5O13S3.3Na/c1-57-31-18-22(11-15-29(31)42-44-37-35(61(54,55)56)21-25-17-27(13-14-28(25)39(37)46)41-26-8-4-3-5-9-26)23-12-16-30(32(19-23)58-2)43-45-38-34(60(51,52)53)20-24-7-6-10-33(59(48,49)50)36(24)40(38)47;;;/h3-21,41,46-47H,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C2C=C(C(N=NC3=CC=C(C=C3OC)C4=CC=C(N=NC=5C(O)=C6C=CC(=CC6=CC5S(=O)(=O)[O-])NC=7C=CC=CC7)C(OC)=C4)=C(O)C21)S(=O)(=O)[O-]


name: N-[(Heptadecafluorooctyl)sulfonyl]-N-propylglycine
cas: 66551-19-7
dtxsid: DTXSID40881310
formula: C26H20F34N2O8S2
inchikey: HDODIINOHBMAOQ-UHFFFAOYSA-N
norman_susdat_id: NS00110260
inchi:
InChI=1S/2C13H10F17NO4S/c2*1-2-3-31(4-5(32)33)36(34,35)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h2*2-4H2,1H3,(H,32,33)

smiles:
CCCN(CC(O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCCN(CC(O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Acenocumarolo
cas: 66556-77-2
chebiid: CHEBI:53768
dtxsid: DTXSID10873368
formula: C19H15NO6
inchikey: VABCILAOYCMVPS-OAHLLOKOSA-N
norman_susdat_id: NS00073188
pubchem_cid: 54699177
smiles: CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O
inchi:
InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3/t15-/m1/s1


name: N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]acetamide
cas: 66557-45-7
formula: C18H21ClN6O5
inchikey: YREBUQFUGONNSP-UHFFFAOYSA-N
norman_susdat_id: NS00053041
pubchem_cid: 3017688
smiles: O=C(NC1=CC(=CC=C1N=NC2=C(Cl)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CC)CC)C
inchi:
InChI=1/C18H19ClN6O5/c1-4-23(5-2)12-6-7-15(16(9-12)20-11(3)26)21-22-18-14(19)8-13(24(27)28)10-17(18)25(29)30/h6-10H,4-5H2,1-3H3,(H,20,26)


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluorododecane
cas: 66563-68-6
dtxsid: DTXSID10895267
formula: C12HF25
inchikey: PLYVHXBRPARTON-UHFFFAOYSA-N
norman_susdat_id: NS00109323
smiles: FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12HF25/c13-1(14)2(15,16)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)37/h1H


name: Cinitapride
cas: 66564-14-5
dtxsid: DTXSID60867232
formula: C21H30N4O4
inchikey: ZDLBNXXKDMLZMF-OAHLLOKOSA-N
norman_susdat_id: NS00069191
smiles: CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(C[C@@H]2CC=CCC2)CC1
inchi:
InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)/t15-/m1/s1


name: 4-[[2-methoxy-5-methyl-4-(phenylazo)phenyl]azo]phenol
cas: 6657-00-7
dtxsid: DTXSID2064444
formula: C20H18N4O2
inchikey: NQNIWQLHLJISGU-UHFFFAOYSA-N
norman_susdat_id: NS00046736
pubchem_cid: 81172
smiles: OC1=CC=C(N=NC2=CC(=C(N=NC=3C=CC=CC3)C=C2OC)C)C=C1
inchi:
InChI=1/C20H18N4O2/c1-14-12-19(24-22-16-8-10-17(25)11-9-16)20(26-2)13-18(14)23-21-15-6-4-3-5-7-15/h3-13,25H,1-2H3


name: Propanenitrile, 3-[(2-hydroxyethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]-
cas: 6657-32-5
chemspiderid: 73236
dtxsid: DTXSID7064445
formula: C17H17N5O3
inchikey: OGHAROMWUKGSDP-UHFFFAOYSA-N
norman_susdat_id: NS00020331
pubchem_cid: 81173
smiles: OCCN(CCC#N)c1ccc(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C17H17N5O3/c18-10-1-11-21(12-13-23)16-6-2-14(3-7-16)19-20-15-4-8-17(9-5-15)22(24)25/h2-9,23H,1,11-13H2/b20-19+


name: Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl](2-hydroxyethyl)amino]-
cas: 6657-33-6
chemspiderid: 21172590
dtxsid: DTXSID2064446
formula: C17H16Cl1N5O3
inchikey: UHWBGWWOTKVSDD-UHFFFAOYSA-N
norman_susdat_id: NS00036052
pubchem_cid: 23139
smiles: OCCN(CCC#N)c1ccc(cc1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C17H16ClN5O3/c18-16-12-15(23(25)26)6-7-17(16)21-20-13-2-4-14(5-3-13)22(10-11-24)9-1-8-19/h2-7,12,24H,1,9-11H2/b21-20+


name: .beta.-Alanine, N-[4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(2-cyanoethyl)-, methyl ester
cas: 6657-37-0
chemspiderid: 21172591
dtxsid: DTXSID7064447
formula: C19H18Cl1N5O4
inchikey: BMUXKUVOASOJKR-UHFFFAOYSA-N
norman_susdat_id: NS00020332
pubchem_cid: 81174
smiles: COC(=O)CCN(CCC#N)c1ccc(cc1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C19H18ClN5O4/c1-29-19(26)9-12-24(11-2-10-21)15-5-3-14(4-6-15)22-23-18-8-7-16(25(27)28)13-17(18)20/h3-8,13H,2,9,11-12H2,1H3/b23-22+


name: 2-[p-[(2,6-dichloro-4-nitrophenyl)azo]-N-ethylanilino]ethanol
cas: 6657-40-5
dtxsid: DTXSID80884325
formula: C16H17Cl2N4O3
inchikey: IZKMDTFNKCYTOU-UHFFFAOYSA-N
norman_susdat_id: NS00046663
pubchem_cid: 81175
smiles: O=[N+]([O-])C1=CC(Cl)=C(N=NC2=CC=C(C=C2)N(CC)CCO)C(Cl)=C1
inchi:
InChI=1/C16H16Cl2N4O3/c1-2-21(7-8-23)12-5-3-11(4-6-12)19-20-16-14(17)9-13(22(24)25)10-15(16)18/h3-6,9-10,23H,2,7-8H2,1H3


name: Forskolin
cas: 66575-29-9
chebiid: CHEBI:42471
chemspiderid: 3295
dtxsid: DTXSID8040484
formula: C22H34O7
inchikey: OHCQJHSOBUTRHG-KGGHGJDLSA-N
norman_susdat_id: NS00020690
pubchem_cid: 47936
smiles: CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
inchi:
InChI=1S/C22H34O7/c1-8-19(5)11-14(25)22(27)20(6)13(24)9-10-18(3,4)16(20)15(26)17(28-12(2)23)21(22,7)29-19/h8,13,15-17,24,26-27H,1,9-11H2,2-7H3/t13-,15-,16-,17-,19-,20-,21+,22-/m0/s1


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-Nonacosafluorotetradecane
cas: 66577-33-1
dtxsid: DTXSID50895342
formula: C14HF29
inchikey: VGKYUGZSJHXAMS-UHFFFAOYSA-N
norman_susdat_id: NS00110701
smiles: FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14HF29/c15-1(16)2(17,18)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)43/h1H


name: Baliospermin
cas: 66583-56-0
chebiid: CHEBI:2987
dtxsid: DTXSID90331714
formula: C32H50O8
inchikey: JGUYJMIAKPTIAH-MTAILJIJSA-N
norman_susdat_id: NS00097308
inchi:
InChI=1S/C32H50O8/c1-6-7-8-9-10-11-12-13-14-15-22(34)39-30-17-20(3)31(37)21-16-19(2)25(35)32(21,38)27(36)29(18-33)26(40-29)23(31)24(30)28(30,4)5/h16,20-21,23-24,26-27,33,36-38H,6-15,17-18H2,1-5H3/t20-,21+,23-,24-,26+,27-,29+,30+,31+,32-/m1/s1

smiles:
CCCCCCCCCCCC(=O)O[C@@]12C[C@H]([C@@]3([C@@H]4C=C(C(=O)[C@]4([C@@H]([C@@]5([C@H]([C@H]3[C@@H]1C2(C)C)O5)CO)O)O)C)O)C


name: Dilauryl tartrate
cas: 66584-29-0
chemspiderid: 2029482
dtxsid: DTXSID70216752
formula: C28H54O6
inchikey: XDQOYCJMMFRBQS-CLJLJLNGSA-N
norman_susdat_id: NS00036053
pubchem_cid: 6455343
smiles: CCCCCCCCCCCCOC(=O)[C@H](O)[C@@H](O)C(=O)OCCCCCCCCCCCC
inchi:
InChI=1S/C28H54O6/c1-3-5-7-9-11-13-15-17-19-21-23-33-27(31)25(29)26(30)28(32)34-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,29-30H,3-24H2,1-2H3/t25-,26-/m1/s1


name: 2,2'-[[4-[[2-chloro-4-(methylsulphonyl)phenyl]azo]-3-methylphenyl]imino]bisethanol
cas: 6659-76-3
formula: C18H22ClN3O4S
inchikey: KLMFZVQIWHSLOE-UHFFFAOYSA-N
norman_susdat_id: NS00047132
pubchem_cid: 81177
smiles: O=S(=O)(C1=CC=C(N=NC2=CC=C(C=C2C)N(CCO)CCO)C(Cl)=C1)C
inchi:
InChI=1/C18H22ClN3O4S/c1-13-11-14(22(7-9-23)8-10-24)3-5-17(13)20-21-18-6-4-15(12-16(18)19)27(2,25)26/h3-6,11-12,23-24H,7-10H2,1-2H3


name: Abietyl alcohol
cas: 666-84-2
chemspiderid: 92537
dtxsid: DTXSID40216769
formula: C20H32O1
inchikey: GQRUHVMVWNKUFW-UHFFFAOYSA-N
norman_susdat_id: NS00013333
pubchem_cid: 102461
smiles: CC(C)C1=CC2=CCC3C(C)(CO)CCCC3(C)C2CC1
inchi:
InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3


name: Agaric acid
cas: 666-99-9
chemspiderid: 12108
dtxsid: DTXSID2046705
formula: C22H40O7
inchikey: HZLCGUXUOFWCCN-UHFFFAOYNA-N
norman_susdat_id: NS00036058
pubchem_cid: NA
smiles: CCCCCCCCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O
inchi:
InChI=1S/C22H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(25)26)22(29,21(27)28)17-19(23)24/h18,29H,2-17H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t18-,22+/m1/s1


cas: 6661-26-3
formula: C37H27N7O9S
inchikey: ILDOEHXARNMTNN-UHFFFAOYSA-L
norman_susdat_id: NS00047704
pubchem_cid: NA
name:
Disodium 5-[[4-[[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate

inchi:
InChI=1/C37H27N7O9S.2Na/c38-23-5-1-20(2-6-23)36(48)40-27-13-15-29-22(17-27)18-32(54(51,52)53)33(34(29)46)44-42-26-11-9-24(10-12-26)39-35(47)21-3-7-25(8-4-21)41-43-28-14-16-31(45)30(19-28)37(49)50;;/h1-19,45-46H,38H2,(H,39,47)(H,40,48)(H,49,50)(H,51,52,53);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)C(=O)NC3=CC=C(N=NC=4C(O)=C5C=CC(=CC5=CC4S(=O)(=O)[O-])NC(=O)C6=CC=C(N)C=C6)C=C3)=CC=C1O


cas: 6661-29-6
dtxsid: DTXSID50889569
formula: C47H34N8O13S2
inchikey: FNNGVKYZRITYFU-UHFFFAOYSA-J
norman_susdat_id: NS00047705
pubchem_cid: NA
name:
Tetrasodium 3,3'-(carbonyldiimino)bis[6-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]benzoate]

inchi:
InChI=1/C47H34N8O13S2.4Na/c56-43-33-15-11-29(48-27-7-3-1-4-8-27)19-25(33)21-39(69(63,64)65)41(43)54-52-37-17-13-31(23-35(37)45(58)59)50-47(62)51-32-14-18-38(36(24-32)46(60)61)53-55-42-40(70(66,67)68)22-26-20-30(12-16-34(26)44(42)57)49-28-9-5-2-6-10-28;;;;/h1-24,48-49,56-57H,(H,58,59)(H,60,61)(H2,50,51,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(=CC=C1N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC=4C=CC=CC4)NC(=O)NC5=CC=C(N=NC=6C(O)=C7C=CC(=CC7=CC6S(=O)(=O)[O-])NC=8C=CC=CC8)C(=C5)C(=O)[O-]


cas: 6661-40-1
formula: C44H39N3O8S2.Na
inchikey: OPOPGFDDBYCDEO-UHFFFAOYSA-M
norman_susdat_id: NS00082794
name:
Sodium hydrogen -2-ethoxy-5-[[4-[[4-[(4-ethoxy-3-sulphonatophenyl)amino]phenyl]-(1H-indol-3-yl-1-methyl-2-phenyl)methylene]-2,5-cyclohexadien-1-ylidene]amino]benzenesulphonate

inchi:
InChI=1/C44H39N3O8S2.Na/c1-4-54-38-25-23-34(27-40(38)56(48,49)50)45-32-19-15-29(16-20-32)42(43-36-13-9-10-14-37(36)47(3)44(43)31-11-7-6-8-12-31)30-17-21-33(22-18-30)46-35-24-26-39(55-5-2)41(28-35)57(51,52)53;/h6-28,45H,4-5H2,1-3H3,(H,48,49,50)(H,51,52,53);/q;+1/p-1/rC44H38N3NaO8S2/c1-4-54-38-25-23-34(27-40(38)57(49,50)51)45-32-19-15-29(16-20-32)42(43-36-13-9-10-14-37(36)47(3)44(43)31-11-7-6-8-12-31)30-17-21-33(22-18-30)46-35-24-26-39(55-5-2)41(28-35)58(52,53)56-48/h6-28,45H,4-5H2,1-3H3,(H,49,50,51)

smiles:
CCOc1ccc(Nc2ccc(cc2)C(=C3C=CC(=Nc4ccc(OCC)c(c4)S(=O)(=O)O[Na])C=C3)c5c(c6ccccc6)n(C)c7ccccc57)cc1S(=O)(=O)O


cas: 6661-46-7
chemspiderid: 141323
dtxsid: DTXSID2064448
formula: C43H21Cl1N4O5
inchikey: LYXQXACEQGZEBR-UHFFFAOYSA-N
norman_susdat_id: NS00021322
pubchem_cid: 160862
name:
Naphth[2,3-c]acridine-5,8,14(13H)-trione, 10-chloro-7-[(6,11-dihydro-6,11-dioxo-2-phenylnaphtho[2,3-g]quinazolin-4-yl)amino]-

inchi:
InChI=1S/C43H21ClN4O5/c44-21-14-15-31-28(16-21)41(53)35-33(19-30-34(36(35)45-31)40(52)25-13-7-6-12-24(25)39(30)51)47-43-29-17-26-27(38(50)23-11-5-4-10-22(23)37(26)49)18-32(29)46-42(48-43)20-8-2-1-3-9-20/h1-19H,(H,45,53)(H,46,47,48)

smiles:
ClC1=CC=C2NC3=C4C(=O)C5=CC=CC=C5C(=O)C4=CC(NC4=C5C=C6C(=O)C7=CC=CC=C7C(=O)C6=CC5=NC(=N4)C4=CC=CC=C4)=C3C(=O)C2=C1


name: HC Yellow 8
cas: 66612-11-1
chemspiderid: 2285372
dtxsid: DTXSID70879806
formula: C15H13Cl1N2O4
inchikey: DNCKSSGISBCYQW-WQRHYEAKSA-N
norman_susdat_id: NS00013736
pubchem_cid: NA
smiles: COc1cc(N=C2C=CC(=O)C=C2Cl)c(NC(C)=O)cc1O
inchi:
InChI=1S/C15H13ClN2O4/c1-8(19)17-12-6-14(21)15(22-2)7-13(12)18-11-4-3-9(20)5-10(11)16/h3-7,21H,1-2H3,(H,17,19)


cas: 66612-19-9
formula: C18H21N5O3
inchikey: PMHOFGLSMYOLRF-UHFFFAOYSA-N
norman_susdat_id: NS00052646
pubchem_cid: 21149511
smiles: O=C(N)NC1=CC(=O)C(=CC1=NC2=CC=C(C=C2)N(CC(=O)N)CC)C
name:
2-[[4-[[2-(carbamoylamino)-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene]amino]phenyl]ethylamino]acetamide

inchi:
InChI=1/C18H21N5O3/c1-3-23(10-17(19)25)13-6-4-12(5-7-13)21-14-8-11(2)16(24)9-15(14)22-18(20)26/h4-9H,3,10H2,1-2H3,(H2,19,25)(H3,20,22,26)


name: 4-amino-3,6-bis[(4-amino-2-sulphophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid
cas: 66620-37-9
dtxsid: DTXSID3070466
formula: C22H19N7O13S4
inchikey: JRVBVQOZBXPUSV-UHFFFAOYSA-N
norman_susdat_id: NS00053058
pubchem_cid: 135437239
inchi:
InChI=1/C22H19N7O13S4/c23-10-1-3-12(14(7-10)43(31,32)33)26-28-20-16(45(37,38)39)5-9-6-17(46(40,41)42)21(22(30)18(9)19(20)25)29-27-13-4-2-11(24)8-15(13)44(34,35)36/h1-8,30H,23-25H2,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)

smiles:
O=S(=O)(O)C1=CC(N)=CC=C1N=NC2=C(O)C=3C(C=C2S(=O)(=O)O)=CC(=C(N=NC4=CC=C(N)C=C4S(=O)(=O)O)C3N)S(=O)(=O)O


name: GW 842166
cas: 666260-75-9
dtxsid: DTXSID60216786
formula: C18H17Cl2F3N4O2
inchikey: TWQYWUXBZHPIIV-UHFFFAOYSA-N
norman_susdat_id: NS00069639
pubchem_cid: 10253143
smiles: O=C(NCC1CCOCC1)c1cnc(Nc2ccc(Cl)cc2Cl)nc1C(F)(F)F
inchi:
InChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27)


name: Bmstbp
cas: 66640-68-4
chebiid: CHEBI:49809
dtxsid: DTXSID60216807
formula: C14H10Cl4O4S2
inchikey: RDBKPLOYRMCFIY-UHFFFAOYSA-N
norman_susdat_id: NS00071919
pubchem_cid: 115069
smiles: CS(=O)(=O)c1cc(Cl)c(-c2cc(Cl)c(S(C)(=O)=O)cc2Cl)cc1Cl
inchi:
InChI=1S/C14H10Cl4O4S2/c1-23(19,20)13-5-9(15)7(3-11(13)17)8-4-12(18)14(6-10(8)16)24(2,21)22/h3-6H,1-2H3


name: (5a,6a)-4,5-epoxy-3-hydroxy-17-methylmorphinan-6-yl acetate
cas: 66641-10-9
dtxsid: DTXSID40985221
formula: C19H23NO4
inchikey: QSMMSROGHQAUSB-SSTWWWIQSA-N
norman_susdat_id: NS00053059
pubchem_cid: 6602214
smiles: O=C(OC1CCC2C3N(C)CCC42C5=C(OC14)C(O)=CC=C5C3)C
inchi:
InChI=1/C19H23NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3,5,12-13,15,18,22H,4,6-9H2,1-2H3


name: Veralipride
cas: 66644-81-3
chebiid: CHEBI:135600
chemspiderid: 43638
dtxsid: DTXSID6046268
formula: C17H25N3O5S1
inchikey: RYJXBGGBZJGVQF-UHFFFAOYSA-N
norman_susdat_id: NS00008815
pubchem_cid: 47979
smiles: COc1cc(cc(C(O)=NCC2CCCN2CC=C)c1OC)S(N)(=O)=O
inchi:
InChI=1S/C17H25N3O5S/c1-4-7-20-8-5-6-12(20)11-19-17(21)14-9-13(26(18,22)23)10-15(24-2)16(14)25-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,19,21)(H2,18,22,23)


name: 19-Bromoaplysiatoxin
cas: 66648-18-8
dtxsid: DTXSID20880083
formula: C32H46Br2O10
inchikey: ROBFGVBAIQEQFW-KDZYOYLMSA-N
norman_susdat_id: NS00075593
inchi:
InChI=1/C32H46Br2O10/c1-16(8-9-23(40-7)21-10-20(36)11-22(33)28(21)34)29-18(3)25-14-32(43-29)30(5,6)13-17(2)31(39,44-32)15-27(38)41-24(19(4)35)12-26(37)42-25/h10-11,16-19,23-25,29,35-36,39H,8-9,12-15H2,1-7H3/t16-,17+,18-,19+,23-,24+,25?,29+,31-,32-/s2

smiles:
[H][C@@]1(O[C@@]23CC(OC(=O)C[C@@]([H])(OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)[C@@H](C)CC[C@H](OC)C1=C(Br)C(Br)=CC(O)=C1


name: [2-[(1-oxododecyl)amino]ethoxy]acetic acid
cas: 66653-99-4
dtxsid: DTXSID30985235
formula: C16H31NO4
inchikey: CREQKGNXXKHRKU-UHFFFAOYSA-N
norman_susdat_id: NS00053090
pubchem_cid: 3017700
smiles: O=C(O)COCCNC(=O)CCCCCCCCCCC
inchi:
InChI=1/C16H31NO4/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-12-13-21-14-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)


name: [2-[(1-oxohexadecyl)amino]ethoxy]acetic acid
cas: 66654-00-0
dtxsid: DTXSID90985236
formula: C20H39NO4
inchikey: PQTYIEUPYGPQHF-UHFFFAOYSA-N
norman_susdat_id: NS00054386
pubchem_cid: 3017701
smiles: O=C(O)COCCNC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1/C20H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-16-17-25-18-20(23)24/h2-18H2,1H3,(H,21,22)(H,23,24)


name: Esculentoside H
cas: 66656-92-6
chemspiderid: 101920412
formula: C48H76O21
inchikey: UQCUBQIHIKJPHI-PMUXBYKWSA-N
norman_susdat_id: NS00093713
pubchem_cid: 57620912
smiles:
C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C)C)[C@@H]2C1)C)C(=O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C(=O)OC


name: 5-bromo-2'-deoxyuridine 5'-monophosphate
cas: 6666-38-2
dtxsid: DTXSID00985242
formula: C9H12BrN2O8P
inchikey: LHLHVDBXXZVYJT-RRKCRQDMSA-L
norman_susdat_id: NS00047120
pubchem_cid: 1806
smiles: O=C1NC(=O)N(C=C1Br)C2OC(COP(=O)([O-])[O-])C(O)C2
inchi:
InChI=1/C9H12BrN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/p-2


name: N-[2-[(2-cyano-4,6-dinitrophenyl)azo]-4-methoxy-5-[(1-methylpentyl)amino]phenyl]acetamide
cas: 66671-91-8
dtxsid: DTXSID50886811
formula: C22H27N7O6
inchikey: NBZOZPOZCNYOOL-UHFFFAOYSA-N
norman_susdat_id: NS00053601
pubchem_cid: 106693
smiles: N#CC=1C=C(C=C(C1N=NC=2C=C(OC)C(=CC2NC(=O)C)NC(C)CCCC)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C22H25N7O6/c1-5-6-7-13(2)24-19-10-17(25-14(3)30)18(11-21(19)35-4)26-27-22-15(12-23)8-16(28(31)32)9-20(22)29(33)34/h8-11,13,24H,5-7H2,1-4H3,(H,25,30)


name: Tert-butyl(1s)-1-cyclohexyl-2-oxoethylcarbamate
cas: 666718-94-1
formula: C13H23NO3
inchikey: BDSGOSWEKUGHOV-LLVKDONJSA-N
norman_susdat_id: NS00068907
pubchem_cid: 448022
smiles: CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1
inchi:
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)/t11-/m1/s1


name: Sodium dihydrogen 5-(3-sulphonatopropoxy)isophthalate
cas: 66687-30-7
formula: C11H12O8S.Na
inchikey: OPPAMCXEVPUKEF-UHFFFAOYSA-K
norman_susdat_id: NS00086571
smiles: [Na+].[O-]C(=O)c1cc(OCCCS(=O)(=O)[O-])cc(c1)C(=O)[O-]
inchi:
InChI=1/C11H12O8S.Na/c12-10(13)7-4-8(11(14)15)6-9(5-7)19-2-1-3-20(16,17)18;/h4-6H,1-3H2,(H,12,13)(H,14,15)(H,16,17,18);/q;+1/p-3


name: Bis[2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium] sulphate
cas: 66693-25-2
formula: C19H23N4O2S.1/2O4S
inchikey: KCNIDFGVWKPDPF-UHFFFAOYSA-L
norman_susdat_id: NS00086636
inchi:
InChI=1/2C19H23N4O2S.H2O4S/c2*1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-5(2,3)4/h2*5-10,13,24H,4,11-12H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
[O-]S([O-])(=O)=O.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(OC)ccc2[n+]3C.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC


cas: 66693-26-3
chemspiderid: 95040
dtxsid: DTXSID7070470
formula: C26H29Cl1N8O8
inchikey: DQUNXALCFQCDEO-UHFFFAOYSA-N
norman_susdat_id: NS00022643
pubchem_cid: 105377
smiles: CCC(=O)Nc1c(cc(OC)c(c1)N(CCOCCC#N)CCOCCC#N)N=Nc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
name:
Propanamide, N-[5-[bis[2-(2-cyanoethoxy)ethyl]amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-

inchi:
InChI=1S/C26H29ClN8O8/c1-3-25(36)30-20-16-22(33(8-12-42-10-4-6-28)9-13-43-11-5-7-29)24(41-2)17-21(20)31-32-26-19(27)14-18(34(37)38)15-23(26)35(39)40/h14-17H,3-5,8-13H2,1-2H3,(H,30,36)/b32-31+


cas: 66693-27-4
chemspiderid: 95041
dtxsid: DTXSID2070471
formula: C21H22Cl1N7O7
inchikey: BTZJHLSNGVJBBH-UHFFFAOYSA-N
norman_susdat_id: NS00036057
pubchem_cid: 105378
smiles: CCC(=O)Nc1c(cc(OC)c(NCCOCCC#N)c1)N=Nc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
name:
Propanamide, N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-[[2-(2-cyanoethoxy)ethyl]amino]-4-methoxyphenyl]-

inchi:
InChI=1S/C21H22ClN7O7/c1-3-20(30)25-15-11-17(24-6-8-36-7-4-5-23)19(35-2)12-16(15)26-27-21-14(22)9-13(28(31)32)10-18(21)29(33)34/h9-12,24H,3-4,6-8H2,1-2H3,(H,25,30)/b27-26+


cas: 66693-28-5
formula: C18H18BrN5O7S
inchikey: VPKPYBGCJVNQID-UHFFFAOYSA-M
norman_susdat_id: NS00054438
pubchem_cid: NA
smiles: [Na+].O=C(N)C=1C(=O)N(C(O)=C(N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC(=O)C(Br)=C)C1C)CC
name:
Sodium 4-[(2-bromo-1-oxoallyl)amino]-2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]benzenesulphonate

inchi:
InChI=1/C18H18BrN5O7S.Na/c1-4-24-17(27)13(15(20)25)8(2)14(18(24)28)23-22-11-7-10(21-16(26)9(3)19)5-6-12(11)32(29,30)31;/h5-7,28H,3-4H2,1-2H3,(H2,20,25)(H,21,26)(H,29,30,31);/q;+1/p-1


cas: 66696-74-0
formula: C37H40N2O9S2
inchikey: CUBRDDBWRBRJIH-UHFFFAOYSA-N
norman_susdat_id: NS00086296
smiles: Cc1cc(C)c(c(C)c1Nc2cc(Oc3ccc(cc3S(=O)(=O)O)C(C)(C)CC(C)(C)C)c(N)c4C(=O)c5ccccc5C(=O)c24)S(=O)(=O)O
name:
3-[[4-amino-9,10-dihydro-9,10-dioxo-3-[sulpho-4-(1,1,3,3-tetramethylbutyl)phenoxy]-1-anthryl]amino]-2,4,6-trimethylbenzenesulphonic acid

inchi:
InChI=1/C37H40N2O9S2/c1-19-15-20(2)35(50(45,46)47)21(3)32(19)39-25-17-27(31(38)30-29(25)33(40)23-11-9-10-12-24(23)34(30)41)48-26-14-13-22(16-28(26)49(42,43)44)37(7,8)18-36(4,5)6/h9-17,39H,18,38H2,1-8H3,(H,42,43,44)(H,45,46,47)


name: 10-(Diphenylmethylene)anthracen-9(10H)-one
cas: 667-91-4
chemspiderid: 62790
dtxsid: DTXSID20216848
formula: C27H18O1
inchikey: SPOJSTUMWGMCFP-UHFFFAOYSA-N
norman_susdat_id: NS00036066
pubchem_cid: 69586
smiles: O=C1c2ccccc2C(=C(c2ccccc2)c2ccccc2)c2c1cccc2
inchi:
InChI=1S/C27H18O/c28-27-23-17-9-7-15-21(23)26(22-16-8-10-18-24(22)27)25(19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-18H


name: N,N'-Bis(vinylsulfonylacetyl)ethylenediamine
cas: 66710-66-5
chemspiderid: 479833
dtxsid: DTXSID00338870
formula: C10H16N2O6S2
inchikey: QWZOJDWOQYTACD-UHFFFAOYSA-N
norman_susdat_id: NS00002936
pubchem_cid: 551576
smiles: C=CS(=O)(=O)CC(=O)NCCNC(=O)CS(=O)(=O)C=C
inchi:
InChI=1S/C10H16N2O6S2/c1-3-19(15,16)7-9(13)11-5-6-12-10(14)8-20(17,18)4-2/h3-4H,1-2,5-8H2,(H,11,13)(H,12,14)


name: Bis(p-acryloxyethoxy)tetrabromobisphenol A
cas: 66710-97-2
chemspiderid: 95043
dtxsid: DTXSID70867243
formula: C25H24Br4O6
inchikey: OOGPFCFGQOSOOZ-UHFFFAOYSA-N
norman_susdat_id: NS00014248
pubchem_cid: 105380
smiles: CC(C)(c1cc(Br)c(OCCOC(=O)C=C)c(Br)c1)c2cc(Br)c(OCCOC(=O)C=C)c(Br)c2
inchi:
InChI=1S/C25H24Br4O6/c1-5-21(30)32-7-9-34-23-17(26)11-15(12-18(23)27)25(3,4)16-13-19(28)24(20(29)14-16)35-10-8-33-22(31)6-2/h5-6,11-14H,1-2,7-10H2,3-4H3


name: Bisoprolol
cas: 66722-44-9
chebiid: CHEBI:3127
chemspiderid: 2312
dtxsid: DTXSID6022682
formula: C18H31N1O4
inchikey: VHYCDWMUTMEGQY-UHFFFAOYSA-N
norman_susdat_id: NS00009929
pubchem_cid: 2405
smiles: CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1
inchi:
InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3


name: Practolol
cas: 6673-35-4
chemspiderid: 391603
dtxsid: DTXSID0021179
formula: C14H22N2O3
inchikey: DURULFYMVIFBIR-ZDUSSCGKSA-N
norman_susdat_id: NS00010240
pubchem_cid: 443371
smiles: CC(C)NC[C@H](O)COc1ccc(NC(C)=O)cc1
inchi:
InChI=1S/C14H22N2O3/c1-10(2)15-8-13(18)9-19-14-6-4-12(5-7-14)16-11(3)17/h4-7,10,13,15,18H,8-9H2,1-3H3,(H,16,17)/t13-/m0/s1


name: Alclometasone dipropionate
cas: 66734-13-2
chemspiderid: 21253977
dtxsid: DTXSID6045535
formula: C28H37Cl1O7
inchikey: DJHCCTTVDRAMEH-UHFFFAOYSA-N
norman_susdat_id: NS00002294
pubchem_cid: 2085
smiles: CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3C(Cl)CC4=CC(=O)C=CC4(C)C3C(O)CC12C
inchi:
InChI=1S/C28H37ClO7/c1-6-22(33)35-14-21(32)28(36-23(34)7-2)15(3)10-18-24-19(29)12-16-11-17(30)8-9-26(16,4)25(24)20(31)13-27(18,28)5/h8-9,11,15,18-20,24-25,31H,6-7,10,12-14H2,1-5H3


name: 4-[[3-(acetylamino)phenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
cas: 66736-54-7
formula: C22H17N3O6S
inchikey: TXLJHCHWQDGXMM-UHFFFAOYSA-N
norman_susdat_id: NS00087311
smiles: CC(=O)Nc1cc(ccc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S(O)(=O)=O
inchi:
InChI=1/C22H17N3O6S/c1-11(26)24-12-5-4-6-13(9-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-7-2-3-8-15(14)22(19)28/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31)


name: Ethyl 3-nitro-L-tyrosinate monohydrochloride
cas: 66737-54-0
formula: C11H15N2O5
inchikey: GITKQXFBNJTMRP-QRPNPIFTSA-N
norman_susdat_id: NS00053117
pubchem_cid: 3088543
smiles: Cl.O=C(OCC)C(N)CC1=CC=C(O)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C11H14N2O5.ClH/c1-2-18-11(15)8(12)5-7-3-4-10(14)9(6-7)13(16)17;/h3-4,6,8,14H,2,5,12H2,1H3;1H


name: 6-bromo-3-[3-(hydroxyimino)-2,3-dihydro-1h-indol-2-ylidene]-2,3-dihydro-1h-indol-2-one
cas: 667463-62-9
chebiid: CHEBI:86290
formula: C16H10BrN3O2
inchikey: DDLZLOKCJHBUHD-WAVHTBQISA-N
norman_susdat_id: NS00071565
smiles: O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=NO
inchi:
InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18,22H,(H,19,21)/b15-13-,20-14+


name: 4,6-di(allyloxy)-2-(octadecyloxy)-1,3,5-triazine
cas: 66747-19-1
dtxsid: DTXSID70216878
formula: C27H47N3O3
inchikey: WTDGRGWMSMBATG-UHFFFAOYSA-N
norman_susdat_id: NS00054442
pubchem_cid: 6455359
smiles: N=1C(=NC(=NC1OCC=C)OCCCCCCCCCCCCCCCCCC)OCC=C
inchi:
InChI=1/C27H47N3O3/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-33-27-29-25(31-22-5-2)28-26(30-27)32-23-6-3/h5-6H,2-4,7-24H2,1H3


name: Octadecanoic acid, 2-ethyl-2-(hydroxymethyl)-1,3-propanediyl ester
cas: 66753-01-3
chemspiderid: 150189
dtxsid: DTXSID7070474
formula: C42H82O5
inchikey: CQDMCVJMVGGZHQ-UHFFFAOYSA-N
norman_susdat_id: NS00036064
pubchem_cid: 171806
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C42H82O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(44)46-38-42(6-3,37-43)39-47-41(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h43H,4-39H2,1-3H3


name: N-[5-[[bis(1,4-dihydro-4-oxo-2-quinazolinyl)methyl]azo]-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide
cas: 66755-26-8
dtxsid: DTXSID2070475
formula: C38H23N7O5
inchikey: MVBJIBIUCFBXNC-UHFFFAOYSA-N
norman_susdat_id: NS00054444
pubchem_cid: NA
inchi:
InChI=1/C38H23N7O5/c46-32-24-15-9-19-28(30(24)33(47)23-14-8-18-27(29(23)32)41-36(48)20-10-2-1-3-11-20)44-45-31(34-39-25-16-6-4-12-21(25)37(49)42-34)35-40-26-17-7-5-13-22(26)38(50)43-35/h1-19,31H,(H,41,48)(H,39,42,49)(H,40,43,50)

smiles:
O=C1N=C(NC=2C=CC=CC12)C(N=NC3=CC=CC=4C(=O)C=5C(=CC=CC5C(=O)C34)NC(=O)C=6C=CC=CC6)C7=NC(=O)C=8C=CC=CC8N7


name: 7-acetamido-3-hydroxynaphthalene-1-sulphonic acid
cas: 66761-03-3
dtxsid: DTXSID30985336
formula: C12H11NO5S
inchikey: FQVOHUNTVPFJNU-UHFFFAOYSA-N
norman_susdat_id: NS00054445
pubchem_cid: 3017712
smiles: O=C(NC1=CC=C2C=C(O)C=C(C2=C1)S(=O)(=O)O)C
inchi:
InChI=1/C12H11NO5S/c1-7(14)13-9-3-2-8-4-10(15)6-12(11(8)5-9)19(16,17)18/h2-6,15H,1H3,(H,13,14)(H,16,17,18)


name: Dilithium tetrapropenylsuccinate
cas: 66768-50-1
formula: C16H22O4
inchikey: QDHBGIAURNYVGI-UHFFFAOYSA-L
norman_susdat_id: NS00053119
pubchem_cid: 53438503
smiles: [Li+].[Li+].O=C([O-])C(C=CC)(C=CC)C(C=CC)(C=CC)C(=O)[O-]
inchi:
InChI=1/C16H22O4.2Li/c1-5-9-15(10-6-2,13(17)18)16(11-7-3,12-8-4)14(19)20;;/h5-12H,1-4H3,(H,17,18)(H,19,20);;/q;2*+1/p-2


name: 11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-methanesulphonate
cas: 6677-96-9
dtxsid: DTXSID20985340
formula: C22H32O7S
inchikey: AFMXNPUMXZCVGU-CWNVBEKCSA-N
norman_susdat_id: NS00047707
pubchem_cid: 93037
smiles: O=C1C=C2CCC3C4CCC(O)(C(=O)COS(=O)(=O)C)C4(C)CC(O)C3C2(C)CC1
inchi:
InChI=1/C22H32O7S/c1-20-8-6-14(23)10-13(20)4-5-15-16-7-9-22(26,18(25)12-29-30(3,27)28)21(16,2)11-17(24)19(15)20/h10,15-17,19,24,26H,4-9,11-12H2,1-3H3


name: 11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-butyrate
cas: 6677-99-2
dtxsid: DTXSID00875538
formula: C25H36O6
inchikey: YZNQMPPBWQTLFJ-TUFAYURCSA-N
norman_susdat_id: NS00047133
pubchem_cid: 10365526
smiles: O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)CCC
inchi:
InChI=1/C25H36O6/c1-4-5-21(29)31-14-20(28)25(30)11-9-18-17-7-6-15-12-16(26)8-10-23(15,2)22(17)19(27)13-24(18,25)3/h12,17-19,22,27,30H,4-11,13-14H2,1-3H3


name: 11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-valerate
cas: 6678-00-8
dtxsid: DTXSID20985345
formula: C26H38O6
inchikey: XHDMDWMKAYYIRK-FZNHGJLXSA-N
norman_susdat_id: NS00047121
pubchem_cid: 111229
smiles: O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)CCCC
inchi:
InChI=1/C26H38O6/c1-4-5-6-22(30)32-15-21(29)26(31)12-10-19-18-8-7-16-13-17(27)9-11-24(16,2)23(18)20(28)14-25(19,26)3/h13,18-20,23,28,31H,4-12,14-15H2,1-3H3


name: 11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-octanoate
cas: 6678-14-4
dtxsid: DTXSID50872916
formula: C29H44O6
inchikey: VWVPRYMOFYIOOZ-KAQKJVHQSA-N
norman_susdat_id: NS00047134
pubchem_cid: 94330
smiles: O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)CCCCCCC
inchi:
InChI=1/C29H44O6/c1-4-5-6-7-8-9-25(33)35-18-24(32)29(34)15-13-22-21-11-10-19-16-20(30)12-14-27(19,2)26(21)23(31)17-28(22,29)3/h16,21-23,26,31,34H,4-15,17-18H2,1-3H3


name: 11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-heptanoate
cas: 6678-15-5
dtxsid: DTXSID80985346
formula: C28H42O6
inchikey: QITCVLFQEFWECI-SLPNHVECSA-N
norman_susdat_id: NS00047122
pubchem_cid: 111230
smiles: O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)CCCCCC
inchi:
InChI=1/C28H42O6/c1-4-5-6-7-8-24(32)34-17-23(31)28(33)14-12-21-20-10-9-18-15-19(29)11-13-26(18,2)25(20)22(30)16-27(21,28)3/h15,20-22,25,30,33H,4-14,16-17H2,1-3H3


name: 11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-undecanoate
cas: 6678-18-8
dtxsid: DTXSID40985347
formula: C32H50O6
inchikey: VAJJLACDNGPVDR-RXBLAQSTSA-N
norman_susdat_id: NS00047708
pubchem_cid: 111231
smiles: O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)CCCCCCCCCC
inchi:
InChI=1/C32H50O6/c1-4-5-6-7-8-9-10-11-12-28(36)38-21-27(35)32(37)18-16-25-24-14-13-22-19-23(33)15-17-30(22,2)29(24)26(34)20-31(25,32)3/h19,24-26,29,34,37H,4-18,20-21H2,1-3H3


name: Tinofedrine
cas: 66788-41-8
chebiid: CHEBI:135502
chemspiderid: 2298059
dtxsid: DTXSID00216907
formula: C20H21N1O1S2
inchikey: JQSHEDRVRBSFCZ-YWZLYKJASA-N
norman_susdat_id: NS00036065
pubchem_cid: 3033341
smiles: C[C@H](NCC=C(c1cscc1)c1cscc1)[C@H](O)c1ccccc1
inchi:
InChI=1S/C20H21NOS2/c1-15(20(22)16-5-3-2-4-6-16)21-10-7-19(17-8-11-23-13-17)18-9-12-24-14-18/h2-9,11-15,20-22H,10H2,1H3/t15-,20-/m0/s1


name: Estra-1,3,5(10)-triene-3,17ß-diol 17-(cyclooctaneacetate)
cas: 66791-46-6
dtxsid: DTXSID10985354
formula: C28H40O3
inchikey: CZCGBAHDFURTGU-VMBLQBCYSA-N
norman_susdat_id: NS00053644
pubchem_cid: 67083
smiles: O=C(OC1CCC2C3CCC4=CC(O)=CC=C4C3CCC12C)CC5CCCCCCC5
inchi:
InChI=1/C28H40O3/c1-28-16-15-23-22-12-10-21(29)18-20(22)9-11-24(23)25(28)13-14-26(28)31-27(30)17-19-7-5-3-2-4-6-8-19/h10,12,18-19,23-26,29H,2-9,11,13-17H2,1H3


name: Misoprostol acid
cas: 66792-31-2
formula: C21H36O5
inchikey: CNWGPXZGIIOYDL-MKYGPDKMSA-N
norman_susdat_id: NS00097106
smiles: CCCCC(C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O
inchi:
InChI=1S/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16-,17-,19-,21?/m1/s1


name: Benzyl neodecanoate
cas: 66794-75-0
chemspiderid: 95047
dtxsid: DTXSID7070476
formula: C17H26O2
inchikey: YBWIAFJEJVDRGT-UHFFFAOYSA-N
norman_susdat_id: NS00036067
pubchem_cid: 105384
smiles: CC(C)(C)CCCCCC(=O)OCc1ccccc1
inchi:
InChI=1S/C17H26O2/c1-17(2,3)13-9-5-8-12-16(18)19-14-15-10-6-4-7-11-15/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3


name: 17-ß-hydroxyandrost-4-en-3-one nicotinate
cas: 668-56-4
dtxsid: DTXSID60985364
formula: C25H31NO3
inchikey: KHRRLLSDLVLEIT-BKWLFHPQSA-N
norman_susdat_id: NS00042773
pubchem_cid: 101826
smiles: O=C(OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C=5C=NC=CC5
inchi:
InChI=1/C25H31NO3/c1-24-11-9-18(27)14-17(24)5-6-19-20-7-8-22(25(20,2)12-10-21(19)24)29-23(28)16-4-3-13-26-15-16/h3-4,13-15,19-22H,5-12H2,1-2H3


name: N,N'-Ethylenebis-D-gluconamide
cas: 66803-04-1
chemspiderid: 4957635
dtxsid: DTXSID00216922
formula: C14H28N2O12
inchikey: UYCIRQBRYNXQBW-TWOHWVPZSA-N
norman_susdat_id: NS00036069
pubchem_cid: 6455368
smiles: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)NCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
inchi:
InChI=1S/C14H28N2O12/c17-3-5(19)7(21)9(23)11(25)13(27)15-1-2-16-14(28)12(26)10(24)8(22)6(20)4-18/h5-12,17-26H,1-4H2,(H,15,27)(H,16,28)/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1


name: D-gluconic acid, compound with 2,2'-iminobisethanol (1:1)
cas: 66808-27-3
formula: C6H12O7.C4H11NO2
inchikey: RLPKEZKBJIBKAG-JJKGCWMISA-N
norman_susdat_id: NS00086304
smiles: OCCNCCO.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
inchi:
InChI=1/C6H12O7.C4H11NO2/c7-1-2(8)3(9)4(10)5(11)6(12)13;6-3-1-5-2-4-7/h2-5,7-11H,1H2,(H,12,13);5-7H,1-4H2


name: Sodium N-(2-hydroxyethyl)-N-octadecylglycinate
cas: 66810-88-6
dtxsid: DTXSID7070478
formula: C22H45NO3
inchikey: DEJFKZOYBGANEG-UHFFFAOYSA-M
norman_susdat_id: NS00054446
pubchem_cid: 105386
smiles: [Na+].O=C([O-])CN(CCO)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H45NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-20-24)21-22(25)26;/h24H,2-21H2,1H3,(H,25,26);/q;+1/p-1


cas: 66822-60-4
norman_susdat_id: NS00112989
name:
POLY(CYCLOHEXYL METHACRYLATE-CO-ETHYL METHACRYLATE-CO-SODIUM N-(CARBOXYMETHYL)- N,N-DIMETHYL-2-((2-METHYL-1-OXO-2- PROPENYL)OXY)ETHANAMINIUM CHLORIDE-CO- STEARYL METHACRYLATE-CO- VINYLPYRROLIDINE)


name: Linagliptin
cas: 668270-12-0
chebiid: CHEBI:68610
chemspiderid: 8271879
formula: C25H28N8O2
inchikey: LTXREWYXXSTFRX-QGZVFWFLSA-N
norman_susdat_id: NS00098773
pubchem_cid: 10096344
smiles: CC#CCn1c2c(nc1N3CCC[C@H](C3)N)n(c(=O)n(c2=O)Cc4nc(c5ccccc5n4)C)C
inchi:
InChI=1S/C25H28N8O2/c1-4-5-13-32-21-22(29-24(32)31-12-8-9-17(26)14-31)30(3)25(35)33(23(21)34)15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1


name: Irganox 1010
cas: 6683-19-8
chemspiderid: 58351
dtxsid: DTXSID1027633
formula: C73H108O12
inchikey: BGYHLZZASRKEJE-UHFFFAOYSA-N
norman_susdat_id: NS00006684
pubchem_cid: 64819
inchi:
InChI=1S/C73H108O12/c1-65(2,3)49-33-45(34-50(61(49)78)66(4,5)6)25-29-57(74)82-41-73(42-83-58(75)30-26-46-35-51(67(7,8)9)62(79)52(36-46)68(10,11)12,43-84-59(76)31-27-47-37-53(69(13,14)15)63(80)54(38-47)70(16,17)18)44-85-60(77)32-28-48-39-55(71(19,20)21)64(81)56(40-48)72(22,23)24/h33-40,78-81H,25-32,41-44H2,1-24H3

smiles:
CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)(COC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)COC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C


name: Propanedinitrile, [[4-[[2-(benzoyloxy)ethyl]ethylamino]-2-methylphenyl]methylene]-
cas: 6684-20-4
chemspiderid: 73251
dtxsid: DTXSID1064453
formula: C22H21N3O2
inchikey: WKTUAHDEZZJAIH-UHFFFAOYSA-N
norman_susdat_id: NS00021323
pubchem_cid: 81189
smiles: CCN(CCOC(=O)c1ccccc1)c1cc(C)c(C=C(C#N)C#N)cc1
inchi:
InChI=1S/C22H21N3O2/c1-3-25(11-12-27-22(26)19-7-5-4-6-8-19)21-10-9-20(17(2)13-21)14-18(15-23)16-24/h4-10,13-14H,3,11-12H2,1-2H3


name: Tralomethrin
cas: 66841-25-6
chebiid: CHEBI:39400
chemspiderid: 43788
dtxsid: DTXSID0024343
formula: C22H19Br4N1O3
inchikey: YWSCPYYRJXKUDB-KAKFPZCNSA-N
norman_susdat_id: NS00002498
pubchem_cid: 48132
smiles: CC1(C)[C@@H](C(Br)C(Br)(Br)Br)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1
inchi:
InChI=1S/C22H19Br4NO3/c1-21(2)17(19(23)22(24,25)26)18(21)20(28)30-16(12-27)13-7-6-10-15(11-13)29-14-8-4-3-5-9-14/h3-11,16-19H,1-2H3/t16-,17-,18+,19?/m1/s1


name: Sucrose tetrastearate
cas: 66844-27-7
formula: C84H158O15
inchikey: VOVRXBHBUVKXEL-QANBDVPUSA-N
norman_susdat_id: NS00054469
pubchem_cid: NA
inchi:
InChI=1/C84H158O15/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-74(88)94-79-73(70-86)98-84(71-87,82(79)97-77(91)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)99-83-81(96-76(90)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)80(78(92)72(69-85)93-83)95-75(89)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h72-73,78-83,85-87,92H,5-71H2,1-4H3

smiles:
O=C(OC1C(OC(CO)C(O)C1OC(=O)CCCCCCCCCCCCCCCCC)OC2(OC(CO)C(OC(=O)CCCCCCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCCCC


name: Sucrose heptalaurate
cas: 66844-30-2
formula: C96H176O18
inchikey: UFCDEEBENIGJJD-ZYIKOXFUSA-N
norman_susdat_id: NS00054535
pubchem_cid: 6455382
inchi:
InChI=1/C96H176O18/c1-8-15-22-29-36-43-50-57-64-71-83(98)105-79-82-91(109-86(101)74-67-60-53-46-39-32-25-18-11-4)94(112-89(104)77-70-63-56-49-42-35-28-21-14-7)96(113-82,80-106-84(99)72-65-58-51-44-37-30-23-16-9-2)114-95-93(111-88(103)76-69-62-55-48-41-34-27-20-13-6)92(110-87(102)75-68-61-54-47-40-33-26-19-12-5)90(81(78-97)107-95)108-85(100)73-66-59-52-45-38-31-24-17-10-3/h81-82,90-95,97H,8-80H2,1-7H3

smiles:
O=C(OCC1OC(OC2OC(CO)C(OC(=O)CCCCCCCCCCC)C(OC(=O)CCCCCCCCCCC)C2OC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)C(OC(=O)CCCCCCCCCCC)C1OC(=O)CCCCCCCCCCC)CCCCCCCCCCC


name: Mono(3-carboxypropyl)phthalate
cas: 66851-46-5
chebiid: CHEBI:132872
dtxsid: DTXSID8052726
formula: C12H12O6
inchikey: IYTPMLIWBZMBSL-UHFFFAOYSA-N
norman_susdat_id: NS00077105
smiles: OC(=O)CCCOC(=O)C1=C(C=CC=C1)C(O)=O
inchi:
InChI=1S/C12H12O6/c13-10(14)6-3-7-18-12(17)9-5-2-1-4-8(9)11(15)16/h1-2,4-5H,3,6-7H2,(H,13,14)(H,15,16)


name: Destruxin A
cas: 6686-70-0
dtxsid: DTXSID60985485
formula: C29H47N5O7
inchikey: XIYSEKITPHTMJT-UHFFFAOYSA-N
norman_susdat_id: NS00097086
smiles: CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC=C)C)C)C(C)C)C
inchi:
InChI=1S/C29H47N5O7/c1-9-12-21-27(38)34-16-11-13-20(34)26(37)31-23(18(5)10-2)28(39)33(8)24(17(3)4)29(40)32(7)19(6)25(36)30-15-14-22(35)41-21/h9,17-21,23-24H,1,10-16H2,2-8H3,(H,30,36)(H,31,37)


