# cl_id

cas: 68877-62-3
chemspiderid: 100180
dtxsid: DTXSID1071799
formula: C21H23Cl1N8O4
inchikey: XESUQLJISQTRDH-UHFFFAOYSA-N
norman_susdat_id: NS00036731
pubchem_cid: 111685
smiles: Cc1c(C#N)c(N)nc(NCCCOCCCCO)c1N=Nc1c(Cl)cc(cc1C#N)[N+](=O)[O-]
name:
3-Pyridinecarbonitrile, 2-amino-5-[(2-chloro-6-cyano-4-nitrophenyl)azo]-6-[[3-(4-hydroxybutoxy)propyl]amino]-4-methyl-

inchi:
InChI=1S/C21H23ClN8O4/c1-13-16(12-24)20(25)27-21(26-5-4-8-34-7-3-2-6-31)18(13)28-29-19-14(11-23)9-15(30(32)33)10-17(19)22/h9-10,31H,2-8H2,1H3,(H3,25,26,27)/b29-28+


name: N-[2-[(2-Bromo-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)-2-propenylamino]-4-methoxyphenyl]acetamide
cas: 68877-63-4
chemspiderid: 45573
dtxsid: DTXSID3071800
formula: C21H20Br1N7O6
inchikey: WUAQCCUTLFMZFP-UHFFFAOYSA-N
norman_susdat_id: NS00036732
pubchem_cid: 50257
smiles: COc1cc(N=Nc2c(Br)cc(cc2[N+](=O)[O-])[N+](=O)[O-])c(NC(=O)C)cc1N(CCC#N)CC=C
inchi:
InChI=1S/C21H20BrN7O6/c1-4-7-27(8-5-6-23)18-11-16(24-13(2)30)17(12-20(18)35-3)25-26-21-15(22)9-14(28(31)32)10-19(21)29(33)34/h4,9-12H,1,5,7-8H2,2-3H3,(H,24,30)/b26-25+


name: 2(1H)-Pyridinone, 1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-, compd. with 2-aminoethanol (1:1)
cas: 68890-66-4
dtxsid: DTXSID4046735
formula: C17H32N2O3
inchikey: UVVPSBVBVDDOSR-UHFFFAOYSA-N
norman_susdat_id: NS00076016
smiles: NCCCO.CC(CC1=CC(C)=CC(=O)N1O)CC(C)(C)C
inchi:
InChI=1/C14H23NO2.C3H9NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;4-2-1-3-5/h6,8,11,17H,7,9H2,1-5H3;5H,1-4H2


cas: 68891-05-4
dtxsid: DTXSID80882942
norman_susdat_id: NS00111682
name:
Ethene, tetrafluoro-, homopolymer, .alpha.-fluoro-.omega.-(2-hydroxyethyl)-, citrate, reaction products with 1,6-diisocyanatohexane


cas: 68891-96-3
dtxsid: DTXSID40881279
formula: C20H32Cl4Cr2F17NO9S
inchikey: RAEFMHKBYRJGSN-UHFFFAOYSA-H
norman_susdat_id: NS00110257
name:
Diaquatetrachloro[mu-[N-ethyl-N-[(perfluorooctyl)sulfonyl]glycinato-O1:O1']]-mu-hydroxybis[2-methylpropanol]dichromium

inchi:
InChI=1S/C12H8F17NO4S.2C4H10O.4ClH.2Cr.3H2O/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27;2*1-4(2)3-5;;;;;;;;;/h2-3H2,1H3,(H,31,32);2*4-5H,3H2,1-2H3;4*1H;;;3*1H2/q;;;;;;;2*+3;;;/p-6

smiles:
[H][O]([H])[Cr+3]1([Cl-])([Cl-])([O-]C(CN(CC)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)=[O][Cr+3]([Cl-])([Cl-])([O]([H])[H])([O]([H])CC(C)C)[O-]1[H])[O]([H])CC(C)C


cas: 68891-97-4
dtxsid: DTXSID50881280
formula: C17H28Cl4Cr2F15NO9S
inchikey: NPOZUVCXDLDFAO-UHFFFAOYSA-H
norman_susdat_id: NS00110601
name:
Diaquatetrachloro(mu-(N-ethyl-N-((pentadecafluoroheptyl)sulfonyl)glycinato-O1:O1'))-mu-hydroxybis(2-propanol) chromium

inchi:
InChI=1S/C11H8F15NO4S.2C3H8O.4ClH.2Cr.3H2O/c1-2-27(3-4(28)29)32(30,31)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24;2*1-3(2)4;;;;;;;;;/h2-3H2,1H3,(H,28,29);2*3-4H,1-2H3;4*1H;;;3*1H2/q;;;;;;;+3;+4;;;/p-6

smiles:
[H][O]([H])[Cr+3]1([Cl-])([Cl-])(OC(CN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=[O][Cr+3]([Cl-])([Cl-])([O]([H])[H])([O]([H])C(C)C)[O-]1[H])[O]([H])C(C)C


cas: 68891-98-5
dtxsid: DTXSID10881281
formula: C16H28Cl4Cr2F13NO9S
inchikey: LFKPHGCGHJUPOU-UHFFFAOYSA-I
norman_susdat_id: NS00109223
name:
Diaquatetrachloro(mu-(N-ethyl-N-((perfluorohexyl)sulfonyl)glycinato-O1:O1'))-mu-hydroxybis(2-propanol)dichromium

inchi:
InChI=1S/C10H8F13NO4S.2C3H8O.4ClH.2Cr.2H2O.HO/c1-2-24(3-4(25)26)29(27,28)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21;2*1-3(2)4;;;;;;;;;/h2-3H2,1H3,(H,25,26);2*3-4H,1-2H3;4*1H;;;2*1H2;1H/q;;;;;;;+3;+4;;;/p-5

smiles:
[H][O]([H])[Cr+3]1([Cl-])([Cl-])(OC(CN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=[O][Cr+3]([Cl-])([Cl-])([O]([H])[H])([O]([H])C(C)C)[O]1[H])[O]([H])C(C)C


cas: 68891-99-6
dtxsid: DTXSID70881282
formula: C15H28Cl4Cr2F11NO9S
inchikey: WJUBZYQXBFUNJD-UHFFFAOYSA-H
norman_susdat_id: NS00111287
name:
Diaquatetrachloro(mu-(N-ethyl-N-((perfluoropentyl)sulfonyl)glycinato-O1:O1'))-mu-hydroxybis(2-propanol)dichromium

inchi:
InChI=1S/C9H8F11NO4S.2C3H8O.4ClH.2Cr.3H2O/c1-2-21(3-4(22)23)26(24,25)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18;2*1-3(2)4;;;;;;;;;/h2-3H2,1H3,(H,22,23);2*3-4H,1-2H3;4*1H;;;3*1H2/q;;;;;;;+3;+4;;;/p-6

smiles:
[H][O]([H])[Cr+3]1([Cl-])([Cl-])(OC(CN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=[O][Cr+3]([Cl-])([Cl-])([O]([H])[H])([O]([H])C(C)C)[O-]1[H])[O]([H])C(C)C


name: Benzenesulfonic acid, 5-chloro-2-(4-chloro-2-nitrophenoxy)-
cas: 68892-04-6
chemspiderid: 100184
dtxsid: DTXSID8071803
formula: C12H7Cl2N1O6S1
inchikey: DKAGODCVNALFNQ-UHFFFAOYSA-N
norman_susdat_id: NS00036734
pubchem_cid: 111690
smiles: OS(=O)(=O)c1c(Oc2c(cc(Cl)cc2)[N+](=O)[O-])ccc(Cl)c1
inchi:
InChI=1S/C12H7Cl2NO6S/c13-7-1-3-10(9(5-7)15(16)17)21-11-4-2-8(14)6-12(11)22(18,19)20/h1-6H,(H,18,19,20)


name: 10-Undecenoic acid, 3,7-dimethyl-2,6-octadienyl ester
cas: 68892-05-7
chemspiderid: 4942214
dtxsid: DTXSID3071804
formula: C21H36O2
inchikey: LUZKKLNTWSGPEE-UHFFFAOYSA-N
norman_susdat_id: NS00036735
pubchem_cid: 111691
smiles: CC(=CCC/C(=C/COC(=O)CCCCCCCCC=C)/C)C
inchi:
InChI=1S/C21H36O2/c1-5-6-7-8-9-10-11-12-16-21(22)23-18-17-20(4)15-13-14-19(2)3/h5,14,17H,1,6-13,15-16,18H2,2-4H3/b20-17+


name: [(4-undecylcyclopent-1-ene-1,2-diyl)bis(oxy)]bis[trimethylsilane]
cas: 68892-10-4
dtxsid: DTXSID3071808
formula: C22H46O2Si2
inchikey: AOTLKIISJBQSTG-UHFFFAOYSA-N
norman_susdat_id: NS00061872
pubchem_cid: 111403
smiles: O(C1=C(O[Si](C)(C)C)CC(C1)CCCCCCCCCCC)[Si](C)(C)C
inchi:
InChI=1/C22H46O2Si2/c1-8-9-10-11-12-13-14-15-16-17-20-18-21(23-25(2,3)4)22(19-20)24-26(5,6)7/h20H,8-19H2,1-7H3


name: Benzenesulfonic acid, 2-[[ethyl(3-methylphenyl)amino]methyl]-
cas: 68892-12-6
chemspiderid: 100187
dtxsid: DTXSID8071809
formula: C16H19N1O3S1
inchikey: KJGKGAPEKFTEIL-UHFFFAOYSA-N
norman_susdat_id: NS00036738
pubchem_cid: 111695
smiles: CCN(Cc1c(cccc1)S(=O)(=O)O)c1cc(C)ccc1
inchi:
InChI=1S/C16H19NO3S/c1-3-17(15-9-6-7-13(2)11-15)12-14-8-4-5-10-16(14)21(18,19)20/h4-11H,3,12H2,1-2H3,(H,18,19,20)


name: (Z)-didecyl(dodec-1-enyl)aluminium
cas: 68892-23-9
formula: C32H65Al
inchikey: ZKBVGYDDAFNYRL-UHFFFAOYSA-N
norman_susdat_id: NS00090875
smiles: CCCCCCCCCC\C=C/[Al](CCCCCCCCCC)CCCCCCCCCC
inchi:
InChI=1/C12H23.2C10H21.Al/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-3-5-7-9-10-8-6-4-2;/h1,3H,4-12H2,2H3;2*1,3-10H2,2H3;/rC32H65Al/c1-4-7-10-13-16-19-20-23-26-29-32-33(30-27-24-21-17-14-11-8-5-2)31-28-25-22-18-15-12-9-6-3/h29,32H,4-28,30-31H2,1-3H3


name: (Z)-pent-1-enyldipropylaluminium
cas: 68892-24-0
formula: C11H23Al
inchikey: KWBNSIPWTCSVDI-UHFFFAOYSA-N
norman_susdat_id: NS00091363
smiles: CCC\C=C/[Al](CCC)CCC
inchi:
InChI=1/C5H9.2C3H7.Al/c1-3-5-4-2;2*1-3-2;/h1,3H,4-5H2,2H3;2*1,3H2,2H3;/rC11H23Al/c1-4-7-8-11-12(9-5-2)10-6-3/h8,11H,4-7,9-10H2,1-3H3


name: Hydroxydinonylbenzenesulphonic acid
cas: 68892-30-8
dtxsid: DTXSID70866756
formula: C24H42O4S
inchikey: ZPAOFJRSHDHADM-UHFFFAOYSA-N
norman_susdat_id: NS00061873
pubchem_cid: NA
smiles: O=S(=O)(O)C1=CC=C(C(=C1O)CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C24H42O4S/c1-3-5-7-9-11-13-15-17-21-19-20-23(29(26,27)28)24(25)22(21)18-16-14-12-10-8-6-4-2/h19-20,25H,3-18H2,1-2H3,(H,26,27,28)


cas: 68892-31-9
formula: C27H20Cl2N8O9S3.3Na
inchikey: UPDVDGUOBRUKAJ-UHFFFAOYSA-K
norman_susdat_id: NS00090776
name:
Trisodium 2-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-sulphonato-1-naphthyl]azo]-2,5-dimethylphenyl]azo]benzene-1,4-disulphonate

inchi:
InChI=1/C27H20Cl2N8O9S3.3Na/c1-13-11-20(36-37-21-12-15(47(38,39)40)6-9-22(21)48(41,42)43)14(2)10-19(13)35-34-17-7-8-18(30-27-32-25(28)31-26(29)33-27)24-16(17)4-3-5-23(24)49(44,45)46;;;/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,30,31,32,33);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].Clc5nc(Nc3ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)cc2C)c4cccc(c34)S([O-])(=O)=O)nc(Cl)n5


name: Guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-N-(2-methyl-1-oxopropyl)-
cas: 68892-41-1
chemspiderid: 2006638
dtxsid: DTXSID1074965
formula: C35H37N5O7
inchikey: RMQXDNUKLIDXOS-ZGIBFIJWSA-N
norman_susdat_id: NS00036739
pubchem_cid: 2724504
smiles: COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1[nH]c(NC(=O)C(C)C)nc2=O)(c1ccccc1)c1ccc(OC)cc1
inchi:
InChI=1S/C35H37N5O7/c1-21(2)32(42)38-34-37-31-30(33(43)39-34)36-20-40(31)29-18-27(41)28(47-29)19-46-35(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24/h5-17,20-21,27-29,41H,18-19H2,1-4H3,(H2,37,38,39,42,43)/t27-,28+,29+/m0/s1


cas: 68900-65-2
dtxsid: DTXSID90988601
formula: C43H51N3O6S2
inchikey: QAOOKWLZKXBSCZ-UHFFFAOYSA-N
norman_susdat_id: NS00061667
pubchem_cid: 91998369
name:
[[[4-(diethylamino)phenyl]methylene]bis[(3-methyl-4,1-phenylene)(ethylimino)methylene]]bis(benzenesulphonic) acid

inchi:
InChI=1/C43H51N3O6S2/c1-7-44(8-2)36-21-19-33(20-22-36)43(39-25-23-37(27-31(39)5)45(9-3)29-34-15-11-13-17-41(34)53(47,48)49)40-26-24-38(28-32(40)6)46(10-4)30-35-16-12-14-18-42(35)54(50,51)52/h11-28,43H,7-10,29-30H2,1-6H3,(H,47,48,49)(H,50,51,52)

smiles:
O=S(=O)(O)C=1C=CC=CC1CN(C2=CC=C(C(=C2)C)C(C3=CC=C(C=C3)N(CC)CC)C4=CC=C(C=C4C)N(CC=5C=CC=CC5S(=O)(=O)O)CC)CC


name: Bromotrioctylsilane
cas: 68900-90-3
dtxsid: DTXSID2071813
formula: C24H51BrSi
inchikey: GRMBPTONJVRIHJ-UHFFFAOYSA-N
norman_susdat_id: NS00061754
pubchem_cid: 97644
smiles: Br[Si](CCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C24H51BrSi/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3


name: N-(Stearoyloxyethylaminoethyl)stearamide
cas: 68900-94-7
chemspiderid: 100199
dtxsid: DTXSID7071814
formula: C40H80N2O3
inchikey: IMHKFOMOEOAPQF-UHFFFAOYSA-N
norman_susdat_id: NS00036740
pubchem_cid: 111716
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCOC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C40H80N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)42-36-35-41-37-38-45-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41H,3-38H2,1-2H3,(H,42,43)


cas: 68900-95-8
dtxsid: DTXSID60887556
formula: C24H29N7O5
inchikey: AHKSRSQWXRJWII-UHFFFAOYSA-N
norman_susdat_id: NS00061510
pubchem_cid: 111409
smiles: N#CC=1C=C(C=C(C1N=NC=2C=C3C(=CC2NC(=O)CC)N(CC)C(C)(C)CC3C)[N+](=O)[O-])[N+](=O)[O-]
name:
N-[6-[(2-cyano-4,6-dinitrophenyl)azo]-1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinolin-7-yl]propionamide

inchi:
InChI=1/C24H27N7O5/c1-6-22(32)26-18-11-20-17(14(3)12-24(4,5)29(20)7-2)10-19(18)27-28-23-15(13-25)8-16(30(33)34)9-21(23)31(35)36/h8-11,14H,6-7,12H2,1-5H3,(H,26,32)


name: POLYGLYCERYL-10 DECA- LINOLEATE
cas: 68900-96-9
chemspiderid: 10160494
formula: C20H32O2
inchikey: LZJXYEUFEJOSIU-WIVAWARHSA-N
norman_susdat_id: NS00013987
pubchem_cid: NA
inchi:
InChI=1S/C20H32O2.C19H32O2.6C18H32O2.2C18H28O2.C18H26O2.3C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21;9*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*4-1-3(6)2-5/h5-6,8-9,14-17H,2-4,7,10-13,18-19H2,1H3,(H,21,22);3-4,12-15H,2,5-11,16-18H2,1H3,(H,20,21);6*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);6-7,9-12,14-15H,2-5,8,13,16-17H2,1H3,(H,19,20);4-7,9-12H,2-3,8,13-17H2,1H3,(H,19,20);4-7,9-14H,2-3,8,15-17H2,1H3,(H,19,20);3*3-6H,1-2H2/b6-5+,9-8+,15-14+,17-16+;4-3+,13-12+,15-14+;6*7-6+,10-9+;7-6+,10-9+,12-11+,15-14+;5-4+,7-6+,10-9+,12-11+;5-4+,7-6+,10-9+,12-11+,14-13+;;;

smiles:
CCCCC/C=C/C/C=C/CCCCCCCC(O)=O.CCCCC/C=C/C/C=C/CCCCCCCC(O)=O.CCCCC/C=C/C/C=C/CCCCCCCC(O)=O.CCCCC/C=C/C/C=C/CCCCCCCC(O)=O.CCCCC/C=C/C/C=C/CCCCCCCC(O)=O.CCCCC/C=C/C/C=C/CCCCCCCC(O)=O.CCCCC/C=C/C/C=C/C=C/C/C=C/CCC(O)=O.CCCC/C=C/C/C=C/CCCC/C=C/C=C/CCC(O)=O.CCC/C=C/C=C/C/C=C/C=C/CCCCCC(O)=O.CCC/C=C/C=C/C/C=C/C=C/C=C/CCCC(O)=O.CC/C=C/CCCCCCC/C=C/C=C/CCCC(O)=O.OCC(O)CO.OCC(O)CO.OCC(O)CO


cas: 68900-97-0
dtxsid: DTXSID30881283
formula: C14H28Cl4Cr2F9NO9S
inchikey: XPVQXTIORCZKBJ-UHFFFAOYSA-I
norman_susdat_id: NS00109921
name:
Diaquatetrachloro(mu-(N-ethyl-N-((perfluorobutyl)sulfonyl)glycinato-O1:O1'))-mu-hydroxybis(2-propanol)dichromium

inchi:
InChI=1S/C8H8F9NO4S.2C3H8O.4ClH.2Cr.2H2O.HO/c1-2-18(3-4(19)20)23(21,22)8(16,17)6(11,12)5(9,10)7(13,14)15;2*1-3(2)4;;;;;;;;;/h2-3H2,1H3,(H,19,20);2*3-4H,1-2H3;4*1H;;;2*1H2;1H/q;;;;;;;+3;+4;;;/p-5

smiles:
[H][O]([H])[Cr+3]1([Cl-])([Cl-])([OH]C(C)C)[O]=C(CN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Cr+3]([Cl-])([Cl-])([O]([H])[H])([O]([H])C(C)C)[O]1[H]


name: 3-Thiazolidineacetic acid, 5-(3-methyl-4-phenyl-2(3H)-thiazolylidene)-4-oxo-2-thioxo-
cas: 68901-07-5
chemspiderid: 2299277
dtxsid: DTXSID1071820
formula: C15H12N2O3S3
inchikey: NGCHMQBCOUHPJH-UHFFFAOYSA-N
norman_susdat_id: NS00036742
pubchem_cid: 111723
smiles: Cn1/c(=C/2SC(=S)N(CC(=O)O)C2=O)/scc1c1ccccc1
inchi:
InChI=1S/C15H12N2O3S3/c1-16-10(9-5-3-2-4-6-9)8-22-14(16)12-13(20)17(7-11(18)19)15(21)23-12/h2-6,8H,7H2,1H3,(H,18,19)/b14-12+


name: N-[2-[(2,4-dinitrophenyl)azo]-5-[(2-hydroxy-3-methoxypropyl)amino]-4-methoxyphenyl]acetamide
cas: 68901-08-6
dtxsid: DTXSID40887559
formula: C19H24N6O8
inchikey: AQXNELWSQUVQKO-UHFFFAOYSA-N
norman_susdat_id: NS00061093
pubchem_cid: 111410
smiles: O=C(NC=1C=C(NCC(O)COC)C(OC)=CC1N=NC2=CC=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C
inchi:
InChI=1/C19H22N6O8/c1-11(26)21-15-7-17(20-9-13(27)10-32-2)19(33-3)8-16(15)23-22-14-5-4-12(24(28)29)6-18(14)25(30)31/h4-8,13,20,27H,9-10H2,1-3H3,(H,21,26)


name: Benzenesulfonamide, 2-chloro-N-(2,4-dimethylphenyl)-5-nitro-
cas: 68901-10-0
chemspiderid: 96373
dtxsid: DTXSID1071822
formula: C14H13Cl1N2O4S1
inchikey: ZIHWGAIUGNNWJP-UHFFFAOYSA-N
norman_susdat_id: NS00036744
pubchem_cid: 111725
smiles: Cc1cc(C)c(NS(=O)(=O)c2c(Cl)ccc(c2)[N+](=O)[O-])cc1
inchi:
InChI=1S/C14H13ClN2O4S/c1-9-3-6-13(10(2)7-9)16-22(20,21)14-8-11(17(18)19)4-5-12(14)15/h3-8,16H,1-2H3


cas: 68901-11-1
formula: C21H30O5
inchikey: VYUAIOLDAJUWKU-ZMBIFBSDSA-N
norman_susdat_id: NS00062721
pubchem_cid: NA
smiles: [Pb].O=C1C(=C(O)C(=C(O)C1(O)CC=C(C)C)CC=C(C)C)CC(=O)C(C)C
name:
(R)-3,5,6-trihydroxy-4,6-bis(3-methylbut-2-enyl)-2-(3-methyl-2-oxobutyl)cyclohexa-2,4-dien-1-one, lead salt

inchi:
InChI=1/C21H30O5.Pb.2H/c1-12(2)7-8-15-18(23)16(11-17(22)14(5)6)20(25)21(26,19(15)24)10-9-13(3)4;;;/h7,9,14,23-24,26H,8,10-11H2,1-6H3;;;/q;+4;;/rC21H30O5.H2Pb/c1-12(2)7-8-15-18(23)16(11-17(22)14(5)6)20(25)21(26,19(15)24)10-9-13(3)4;/h7,9,14,23-24,26H,8,10-11H2,1-6H3;1H2/q;+4


name: Octaammonium [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 68901-17-7
formula: C6H20N2O12P4.8H3N
inchikey: NHICMYLKMWMRSW-UHFFFAOYSA-N
norman_susdat_id: NS00090580
inchi:
InChI=1/C6H20N2O12P4.8H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);8*1H3

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: 2-carboxy-2-methylpropane-1,3-diyl cyclohexane-1,2-dicarboxylate
cas: 68901-21-3
dtxsid: DTXSID10988603
formula: C21H30O10
inchikey: XUOHMOHDURPJMM-UHFFFAOYSA-M
norman_susdat_id: NS00062730
pubchem_cid: 111415
smiles: O=C([O-])C1CCCCC1C(=O)OCC(C(=O)O)(C)COC(=O)C2CCCCC2C(=O)O
inchi:
InChI=1/C21H30O10/c1-21(20(28)29,10-30-18(26)14-8-4-2-6-12(14)16(22)23)11-31-19(27)15-9-5-3-7-13(15)17(24)25/h12-15H,2-11H2,1H3,(H,22,23)(H,24,25)(H,28,29)/p-1


name: Propane-1,2,3-triyl tris(cyclohexane-1,2-dicarboxylate)
cas: 68901-23-5
dtxsid: DTXSID70988604
formula: C27H38O12
inchikey: IZWUWCWNWYLTHQ-UHFFFAOYSA-L
norman_susdat_id: NS00061755
pubchem_cid: 111417
smiles: O=C([O-])C1CCCCC1C(=O)OCC(OC(=O)C2CCCCC2C(=O)[O-])COC(=O)C3CCCCC3C(=O)O
inchi:
InChI=1/C27H38O12/c28-22(29)16-7-1-4-10-19(16)25(34)37-13-15(39-27(36)21-12-6-3-9-18(21)24(32)33)14-38-26(35)20-11-5-2-8-17(20)23(30)31/h15-21H,1-14H2,(H,28,29)(H,30,31)(H,32,33)/p-2


name: Thiodinaphthalene-1,2-diyl tetrakis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)
cas: 68901-25-7
dtxsid: DTXSID30988605
formula: C60H34N8O16S5
inchikey: XXWYRRDOSKYJJY-UHFFFAOYSA-N
norman_susdat_id: NS00061513
pubchem_cid: NA
inchi:
InChI=1/C60H30N8O16S5/c61-65-43-25-21-35-39(53(43)69)13-5-17-49(35)86(73,74)81-57-33-11-3-1-9-31(33)29-47(59(57)83-88(77,78)51-19-7-15-41-37(51)23-27-45(67-63)55(41)71)85-48-30-32-10-2-4-12-34(32)58(82-87(75,76)50-18-6-14-40-36(50)22-26-44(66-62)54(40)70)60(48)84-89(79,80)52-20-8-16-42-38(52)24-28-46(68-64)56(42)72/h1-30H

smiles:
[N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)OC=3C(SC4=CC=5C=CC=CC5C(OS(=O)(=O)C=6C=CC=C7C(=O)C(=[N+]=[N-])C=CC76)=C4OS(=O)(=O)C=8C=CC=C9C(=O)C(=[N+]=[N-])C=CC98)=CC=%10C=CC=CC%10C3OS(=O)(=O)C=%11C=CC=C%12C(=O)C(=[N+]=[N-])C=CC%12%11)C1=O


name: Aluminum, tri-C2-20-alkyl complexes
cas: 68908-97-4
formula: -
inchikey: BTTAOWWZQOZWRQ-UHFFFAOYSA-N
norman_susdat_id: NS00090829
smiles: CCCCCCCCCCC[Al](CCCCCCCCCCC)CCCCCCCCCCC
inchi:
InChI=1/3C11H23.Al/c3*1-3-5-7-9-11-10-8-6-4-2;/h3*1,3-11H2,2H3;/rC33H69Al/c1-4-7-10-13-16-19-22-25-28-31-34(32-29-26-23-20-17-14-11-8-5-2)33-30-27-24-21-18-15-12-9-6-3/h4-33H2,1-3H3


cas: 68909-26-2
norman_susdat_id: NS00113508
name:
Poly[oxy(methyl-1,2-ethanediyl)], ?-hydro-?-hydroxy-, ether with bis[[(2-hydroxyethyl)amino]methyl]phenol (3:1)


name: Propanenitrile, 3-[[3-(tridecyloxy)propyl]amino]-, branched
cas: 68909-32-0
dtxsid: DTXSID3029493
formula: C19H38N2O
inchikey: IVQUSOHAUZAYDU-UHFFFAOYSA-N
norman_susdat_id: NS00061137
pubchem_cid: NA
smiles: N#CCCNCCCOCCCCCCCCC(CC)CC
inchi:
InChI=1/C19H38N2O/c1-3-19(4-2)13-9-7-5-6-8-10-17-22-18-12-16-21-15-11-14-20/h19,21H,3-13,15-18H2,1-2H3


name: [2-(methacryloyloxy)ethyl]trimethylammonium methyl sulphate
cas: 6891-44-7
formula: C9H18NO2.CH3O4S
inchikey: IHBKAGRPNRKYAO-UHFFFAOYSA-M
norman_susdat_id: NS00081380
smiles: COS(=O)(=O)[O-].CC(=C)C(=O)OCC[N+](C)(C)C
inchi:
InChI=1/C9H18NO2.CH4O4S/c1-8(2)9(11)12-7-6-10(3,4)5;1-5-6(2,3)4/h1,6-7H2,2-5H3;1H3,(H,2,3,4)/q+1;/p-1


name: 3,6,9,12,15,18,21,24,27,30-Decaoxadotriacontane-1,32-diol
cas: 6891-45-8
chebiid: CHEBI:46801
chemspiderid: 73316
dtxsid: DTXSID70218291
formula: C22H46O12
inchikey: PSVXZQVXSXSQRO-UHFFFAOYSA-N
norman_susdat_id: NS00001005
pubchem_cid: 81260
smiles: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C22H46O12/c23-1-3-25-5-7-27-9-11-29-13-15-31-17-19-33-21-22-34-20-18-32-16-14-30-12-10-28-8-6-26-4-2-24/h23-24H,1-22H2


name: Benzenesulfonic acid, mono-C10-16-alkyl derivs., ammonium salts
cas: 68910-31-6
formula: -
inchikey: LPFJOPHWCLNOEY-UHFFFAOYSA-N
norman_susdat_id: NS00093436
smiles: [NH4+].CCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1/C19H32O3S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)23(20,21)22;/h14-17H,2-13H2,1H3,(H,20,21,22);1H3


name: 2-Naphthalenecarboxamide, N-(2-ethylphenyl)-3-hydroxy-
cas: 68911-98-8
chemspiderid: 100222
dtxsid: DTXSID5071832
formula: C19H17N1O2
inchikey: SVJPZKBLNJTZNY-UHFFFAOYSA-N
norman_susdat_id: NS00036749
pubchem_cid: 111744
smiles: CCc1c(NC(=O)c2c(O)cc3ccccc3c2)cccc1
inchi:
InChI=1S/C19H17NO2/c1-2-13-7-5-6-10-17(13)20-19(22)16-11-14-8-3-4-9-15(14)12-18(16)21/h3-12,21H,2H2,1H3,(H,20,22)


name: 4-[[(p-anisyl)methylhydrazono]methyl]-1-methylpyridinium methyl sulphate
cas: 68912-02-7
dtxsid: DTXSID5071834
formula: C15H18N3O
inchikey: OZNLSKRKXXKXQO-UHFFFAOYSA-M
norman_susdat_id: NS00061421
pubchem_cid: NA
smiles: O=S(=O)([O-])OC.N(=CC1=CC=[N+](C=C1)C)N(C2=CC=C(OC)C=C2)C
inchi:
InChI=1/C15H18N3O.CH4O4S/c1-17-10-8-13(9-11-17)12-16-18(2)14-4-6-15(19-3)7-5-14;1-5-6(2,3)4/h4-12H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 68912-07-2
formula: C20H43NO4
norman_susdat_id: NS00101876
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[[(2-hydroxyhexadecyl)oxidoimino]di-2,1-ethanediyl]bis[.omega.-hydroxy-


name: 4-nitrophenyl a-l-arabinofuranoside
cas: 6892-58-6
formula: C11H13NO7
inchikey: DUYYBTBDYZXISX-UKKRHICBSA-N
norman_susdat_id: NS00070176
pubchem_cid: 151437
smiles: O=[N+]([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)cc1
inchi:
InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11+/m0/s1


cas: 68921-42-6
inchikey: MQAJLDFBEGLWKT-UHFFFAOYSA-K
norman_susdat_id: NS00078417
name:
dihydrogen (ethyl)[4-[[4-[ethyl(3-sulphonatobenzyl)amino]phenyl](2-sulphonatophenyl)methylene]cyclohexa-2,5-dien-1-ylidene](3-sulphonatobenzyl)ammonium, aluminium salt

smiles:
CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccccc5S(=O)(=O)[O-].[OH-].[Al+3]


name: Dipotassium 2-acetamido-3-chloro-9,10-dihydroanthracene-9,10-diyl disulphate
cas: 68921-69-7
dtxsid: DTXSID70891003
formula: C16H14ClNO9S2
inchikey: BQIXBJZCZZJNKT-UHFFFAOYSA-L
norman_susdat_id: NS00062067
pubchem_cid: 111427
smiles: [K+].[K+].O=C(NC=1C=C2C(=CC1Cl)C(OS(=O)(=O)[O-])C=3C=CC=CC3C2OS(=O)(=O)[O-])C
inchi:
InChI=1/C16H14ClNO9S2.2K/c1-8(19)18-14-7-12-11(6-13(14)17)15(26-28(20,21)22)9-4-2-3-5-10(9)16(12)27-29(23,24)25;;/h2-7,15-16H,1H3,(H,18,19)(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2


name: Methyl 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]butyrate
cas: 68921-70-0
chemspiderid: 100228
dtxsid: DTXSID0071835
formula: C13H16Cl2N2O3
inchikey: ISHOUVWLWQRCDZ-UHFFFAOYSA-N
norman_susdat_id: NS00036751
pubchem_cid: 111756
smiles: COC(=O)CCCNc1cc(Cl)c(Cl)cc1NC(=O)C
inchi:
InChI=1S/C13H16Cl2N2O3/c1-8(18)17-12-7-10(15)9(14)6-11(12)16-5-3-4-13(19)20-2/h6-7,16H,3-5H2,1-2H3,(H,17,18)


name: N-[2-[(2-aminoethyl)amino]ethyl]-3-hydroxynaphthalene-2-carboxamide dihydrochloride
cas: 68921-73-3
dtxsid: DTXSID5071838
formula: C15H19N3O2
inchikey: KZWLHUOWZWMZOI-UHFFFAOYSA-N
norman_susdat_id: NS00061493
pubchem_cid: 111759
smiles: Cl.Cl.O=C(NCCNCCN)C1=CC=2C=CC=CC2C=C1O
inchi:
InChI=1/C15H19N3O2.2ClH/c16-5-6-17-7-8-18-15(20)13-9-11-3-1-2-4-12(11)10-14(13)19;;/h1-4,9-10,17,19H,5-8,16H2,(H,18,20);2*1H


name: Sodium 5-[(3-ethylthiazolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-acetate
cas: 68921-74-4
formula: C12H14N2O3S3.Na
inchikey: PPAGKUVTNPRNDA-UHFFFAOYSA-M
norman_susdat_id: NS00091484
smiles: [Na+].CCN2CCSC2=CC=C1SC(=S)N(CC([O-])=O)C1=O
inchi:
InChI=1/C12H14N2O3S3.Na/c1-2-13-5-6-19-9(13)4-3-8-11(17)14(7-10(15)16)12(18)20-8;/h3-4H,2,5-7H2,1H3,(H,15,16);/q;+1/p-1


name: 2-[3-(3-benzyl-4-methyl-3H-thiazol-2-ylidene)prop-1-enyl]-3-benzylbenzoxazolium bromide
cas: 68921-79-9
dtxsid: DTXSID00887570
formula: C28H25N2OS
inchikey: NLUPFFAEUIUXLD-UHFFFAOYSA-M
norman_susdat_id: NS00061862
pubchem_cid: NA
smiles: [Br-].O1C=2C=CC=CC2[N+](=C1C=CC=C3SC=C(N3CC=4C=CC=CC4)C)CC=5C=CC=CC5
inchi:
InChI=1/C28H25N2OS.BrH/c1-22-21-32-28(29(22)19-23-11-4-2-5-12-23)18-10-17-27-30(20-24-13-6-3-7-14-24)25-15-8-9-16-26(25)31-27;/h2-18,21H,19-20H2,1H3;1H/q+1;/p-1


cas: 68921-83-5
chemspiderid: 100233
dtxsid: DTXSID20887572
formula: C39H79N2O3
inchikey: CARJGAHURMGKDU-UHFFFAOYSA-O
norman_susdat_id: NS00014031
pubchem_cid: 111773
smiles: [Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OCCCCCCCCCCCCCC
name:
1-Propanaminium, N,N-dimethyl-3-[(1-oxooctadecyl)amino]-N-[2-oxo-2-(tetradecyloxy)ethyl]-, chloride (1:1)

inchi:
InChI=1S/C39H78N2O3.ClH/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-33-38(42)40-34-32-35-41(3,4)37-39(43)44-36-31-29-27-25-23-18-16-14-12-10-8-6-2;/h5-37H2,1-4H3;1H


name: Calcium bis[(R)-2-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]ethane-1-sulphonate]
cas: 68921-90-4
dtxsid: DTXSID40988631
formula: C8H17NO6S
inchikey: BSTCGMAEJATNRU-UAIGZDOSSA-L
norman_susdat_id: NS00061494
pubchem_cid: 21118784
smiles: [Ca+2].O=C(NCCS(=O)(=O)[O-])C(O)C(C)(C)CO.O=C(NCCS(=O)(=O)[O-])C(O)C(C)(C)CO
inchi:
InChI=1/2C8H17NO6S.Ca/c2*1-8(2,5-10)6(11)7(12)9-3-4-16(13,14)15;/h2*6,10-11H,3-5H2,1-2H3,(H,9,12)(H,13,14,15);/q;;+2/p-2


name: 5-Hydroxy-7,11-dimethyldodec-10-en-3-one
cas: 68922-12-3
chemspiderid: 99994
dtxsid: DTXSID3052430
formula: C14H26O2
inchikey: LZCOUZAIBZKDOG-UHFFFAOYNA-N
norman_susdat_id: NS00036760
pubchem_cid: NA
smiles: CCC(=O)CC(O)CC(C)CCC=C(C)C
inchi:
InChI=1S/C14H26O2/c1-5-13(15)10-14(16)9-12(4)8-6-7-11(2)3/h7,12,14,16H,5-6,8-10H2,1-4H3/t12-,14+/m0/s1


name: Tris[2,4-di-tert-butyl)-5-methylphenyl] phosphite
cas: 68922-23-6
chemspiderid: 100244
dtxsid: DTXSID8071851
formula: C45H69O3P1
inchikey: LTXMJHWSYUANCC-UHFFFAOYSA-N
norman_susdat_id: NS00036763
pubchem_cid: 111787
smiles: Cc1cc(OP(Oc2cc(C)c(cc2C(C)(C)C)C(C)(C)C)Oc2c(cc(c(C)c2)C(C)(C)C)C(C)(C)C)c(cc1C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C45H69O3P/c1-28-22-37(34(43(13,14)15)25-31(28)40(4,5)6)46-49(47-38-23-29(2)32(41(7,8)9)26-35(38)44(16,17)18)48-39-24-30(3)33(42(10,11)12)27-36(39)45(19,20)21/h22-27H,1-21H3


name: 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-(phenylazo)-1,3'-bipyridinium acetate
cas: 68922-24-7
dtxsid: DTXSID30891004
formula: C17H15N4O2
inchikey: DUDOVSRRMUZSSW-UHFFFAOYSA-N
norman_susdat_id: NS00063147
pubchem_cid: NA
smiles: O=C([O-])C.O=C([O-])C.O=C1C(=C(C(N=NC=2C=CC=CC2)=C(O)[NH2+]1)C)[N+]=3C=CC=CC3
inchi:
InChI=1/C17H14N4O2.2C2H4O2/c1-12-14(20-19-13-8-4-2-5-9-13)16(22)18-17(23)15(12)21-10-6-3-7-11-21;2*1-2(3)4/h2-11H,1H3,(H-,18,19,22,23);2*1H3,(H,3,4)


name: D-glucitol 1,6-bis(3-mercaptopropionate)
cas: 68928-46-1
dtxsid: DTXSID90887589
formula: C12H22O8S2
inchikey: LQOOOJZQVCKCNK-IWXIMVSXSA-N
norman_susdat_id: NS00062098
pubchem_cid: 21118791
smiles: O=C(OCC(O)C(O)C(O)C(O)COC(=O)CCS)CCS
inchi:
InChI=1/C12H22O8S2/c13-7(5-19-9(15)1-3-21)11(17)12(18)8(14)6-20-10(16)2-4-22/h7-8,11-14,17-18,21-22H,1-6H2


name: Barium 4-[(2,4-dimethylphenyl)azo]-3-hydroxynaphthalene-2,7-disulphonate
cas: 68928-54-1
formula: C18H16N2O7S2.Ba
inchikey: OFYJJIAMEPRGRY-UHFFFAOYSA-L
norman_susdat_id: NS00090891
smiles: [Ba+2].[O-]S(=O)(=O)c3cc1cc(ccc1c(N=Nc2ccc(C)cc2C)c3O)S([O-])(=O)=O
inchi:
InChI=1/C18H16N2O7S2.Ba/c1-10-3-6-15(11(2)7-10)19-20-17-14-5-4-13(28(22,23)24)8-12(14)9-16(18(17)21)29(25,26)27;/h3-9,21H,1-2H3,(H,22,23,24)(H,25,26,27);/q;+2/p-2


name: Disodium 4-[2-[(1-oxododecyl)amino]ethyl] 2-sulphonatosuccinate
cas: 68928-55-2
dtxsid: DTXSID20890006
formula: C18H33NO8S
inchikey: SBSQNUOQFFPIRK-UHFFFAOYSA-L
norman_susdat_id: NS00061546
pubchem_cid: 111806
smiles: [Na+].[Na+].O=C(OCCNC(=O)CCCCCCCCCCC)CC(C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C18H33NO8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-12-13-27-17(21)14-15(18(22)23)28(24,25)26;;/h15H,2-14H2,1H3,(H,19,20)(H,22,23)(H,24,25,26);;/q;2*+1/p-2


name: 3-[4-(1-methyl-1-phenylethyl)phenoxy]propyltrimethylammonium chloride
cas: 68928-63-2
dtxsid: DTXSID60887591
formula: C21H30NO
inchikey: NXALIGSWMVWYHB-UHFFFAOYSA-M
norman_susdat_id: NS00063173
pubchem_cid: 111809
smiles: [Cl-].O(C1=CC=C(C=C1)C(C=2C=CC=CC2)(C)C)CCC[N+](C)(C)C
inchi:
InChI=1/C21H30NO.ClH/c1-21(2,18-10-7-6-8-11-18)19-12-14-20(15-13-19)23-17-9-16-22(3,4)5;/h6-8,10-15H,9,16-17H2,1-5H3;1H/q+1;/p-1


cas: 68928-70-1
dtxsid: DTXSID90872793
norman_susdat_id: NS00113610
name:
Phenol, 4,4-(1-methylethylidene)bis[2,6-dibromo-, polymer with 2,2-[(1-methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxymethylene]]bis[oxirane]


cas: 68928-74-5
formula: C21H45NO3
norman_susdat_id: NS00101835
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[[[3-(tetradecyloxy)propyl]imino]di-2,1-ethanediyl]bis[.omega.-hydroxy-


cas: 68929-03-3
formula: C23H26Cl2N5O2S.C2H3O2
inchikey: QXTKCVWOSBEYKK-UHFFFAOYSA-M
norman_susdat_id: NS00091506
smiles: [O-]C(C)=O.CN(C)S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc2ccc(cc2)N(CC[n+]3ccccc3)CC
name:
1-[2-[[4-[[2,5-dichloro-4-[(dimethylamino)sulphonyl]phenyl]azo]phenyl]ethylamino]ethyl]pyridinium acetate

inchi:
InChI=1/C23H26Cl2N5O2S.C2H4O2/c1-4-30(15-14-29-12-6-5-7-13-29)19-10-8-18(9-11-19)26-27-22-16-21(25)23(17-20(22)24)33(31,32)28(2)3;1-2(3)4/h5-13,16-17H,4,14-15H2,1-3H3;1H3,(H,3,4)/q+1;/p-1


name: DISODIUM LAUROAM- PHODIPROPIONATE
cas: 68929-04-4
chemspiderid: 100266
formula: C22H41N2O5
inchikey: GZCZHTXDVMWWFQ-UHFFFAOYSA-O
norman_susdat_id: NS00013622
pubchem_cid: 111818
smiles: [OH-].[Na+].[Na+].CCCCCCCCCCCC1=NCC[N+]1(CCOCCC([O-])=O)CCC([O-])=O
inchi:
InChI=1S/C22H40N2O5.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-20-23-14-16-24(20,15-12-21(25)26)17-19-29-18-13-22(27)28;;;/h2-19H2,1H3,(H-,25,26,27,28);;;1H2/q;2*+1;/p-2


name: 3,7,12,17-tetramethyl-21H,23H-porphine-2,18-dipropionic acid dihydrochloride
cas: 68929-05-5
dtxsid: DTXSID40887594
formula: C30H36N4O4
inchikey: BHKJXWNPBPBIIH-UHFFFAOYSA-N
norman_susdat_id: NS00063403
pubchem_cid: NA
smiles: Cl.Cl.O=C(O)CCC=1C2=NC(=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5C)CCC(=O)O)C(=C4)C)C(=C3)C)C1C
inchi:
InChI=1/C30H28N4O4.2ClH/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;;/h9-14H,5-8H2,1-4H3,(H,35,36)(H,37,38);2*1H


name: 3,8,13,18-tetrakis(carboxymethyl)-21H,23H-porphine-2,7,12,17-tetrapropionic acid dihydrochloride
cas: 68929-06-6
dtxsid: DTXSID00887595
formula: C40H44N4O16
inchikey: BMADAFVFDAUDMI-UHFFFAOYSA-N
norman_susdat_id: NS00063134
pubchem_cid: NA
inchi:
InChI=1/C40H36N4O16.2ClH/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29;;/h13-16H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60);2*1H

smiles:
Cl.Cl.O=C(O)CC=1C2=NC(=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5CC(=O)O)CCC(=O)O)C(=C4CC(=O)O)CCC(=O)O)C(=C3CC(=O)O)CCC(=O)O)C1CCC(=O)O


name: 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-5-methoxy-3-methylbenzothiazolium methyl sulphate
cas: 68929-07-7
dtxsid: DTXSID2071869
formula: C19H23N4O2S
inchikey: HOHKDVIHEVYZBM-UHFFFAOYSA-M
norman_susdat_id: NS00062908
pubchem_cid: 111822
smiles: O=S(=O)([O-])OC.OCCN(C1=CC=C(N=NC=2SC=3C=CC(OC)=CC3[N+]2C)C=C1)CC
inchi:
InChI=1/C19H23N4O2S.CH4O4S/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-13-16(25-3)9-10-18(17)26-19;1-5-6(2,3)4/h5-10,13,24H,4,11-12H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: 7-(2-ethylhexyl)quinolin-8-ol
cas: 68929-12-4
dtxsid: DTXSID60887596
formula: C17H23NO
inchikey: FOMHJBDTLRDQBH-UHFFFAOYSA-N
norman_susdat_id: NS00064398
pubchem_cid: 111455
smiles: OC=1C2=NC=CC=C2C=CC1CC(CC)CCCC
inchi:
InChI=1/C17H23NO/c1-3-5-7-13(4-2)12-15-10-9-14-8-6-11-18-16(14)17(15)19/h6,8-11,13,19H,3-5,7,12H2,1-2H3


cas: 689293-69-4
chemspiderid: 10655140
formula: C31H36N6O3
inchikey: BJTYSZPIWGFSKV-UHFFFAOYSA-N
norman_susdat_id: NS00006020
pubchem_cid: 21904455
smiles: Cn1ncc(NC(=O)NCCNC(=O)OC(C)(C)C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1
name:
Carbamic acid, N-[2-[[[[1-methyl-5-[(triphenylmethyl)amino]-1H-pyrazol-4-yl]amino]carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester

inchi:
InChI=1S/C31H36N6O3/c1-30(2,3)40-29(39)33-21-20-32-28(38)35-26-22-34-37(4)27(26)36-31(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,22,36H,20-21H2,1-4H3,(H,33,39)(H2,32,35,38)


cas: 689294-28-8
inchikey: NQDLZIRFHVOADV-UHFFFAOYSA-N
norman_susdat_id: NS00077511
smiles: COc1ccc(COC(=O)C2N3C(SCC=2CCl)C(NC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)c2nsc(N)n2)C3=O)cc1
name:
4-methoxybenzyl (6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-{[(1-tert-butoxy-2-methyl-1-oxopropan-2-yl)oxy]imino}acetyl]amino}-3-(chloromethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate


name: 3,5,3'-Triiodothyronine
cas: 6893-02-3
chebiid: CHEBI:91857
chemspiderid: 838
dtxsid: DTXSID8023216
formula: C15H12I3N1O4
inchikey: AUYYCJSJGJYCDS-UHFFFAOYSA-N
norman_susdat_id: NS00007573
pubchem_cid: 44367053
smiles: NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O
inchi:
InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)


cas: 68935-57-9
formula: C36H29N3O6
inchikey: LYZNHEVPFRMISK-UHFFFAOYSA-N
norman_susdat_id: NS00063135
pubchem_cid: 3017892
smiles: O=C(NCCCOCCOC=1C=CC=CC1)C2=CC=3C=CC=CC3C(N=NC4=CC=CC=5C(=O)C=6C=CC=CC6C(=O)C45)=C2O
name:
4-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-3-hydroxy-N-[3-(2-phenoxyethoxy)propyl]naphthalene-2-carboxamide

inchi:
InChI=1/C36H29N3O6/c40-33-26-14-6-7-15-27(26)34(41)31-28(33)16-8-17-30(31)38-39-32-25-13-5-4-10-23(25)22-29(35(32)42)36(43)37-18-9-19-44-20-21-45-24-11-2-1-3-12-24/h1-8,10-17,22,42H,9,18-21H2,(H,37,43)


cas: 68936-08-3
formula: C13H16N6O2.ClH
inchikey: UGSWODSVJMNCNG-UHFFFAOYSA-N
norman_susdat_id: NS00092134
smiles: Cl.O=C2C(N=Nc1cc(C)ccc1OC)C(\C)=N/N2C(=N)N
name:
4,5-dihydro-4-[(2-methoxy-5-methylphenyl)azo]-3-methyl-5-oxo-1H-pyrazole-1-carboxamidine monohydrochloride

inchi:
InChI=1/C13H16N6O2.ClH/c1-7-4-5-10(21-3)9(6-7)16-17-11-8(2)18-19(12(11)20)13(14)15;/h4-6,11H,1-3H3,(H3,14,15);1H


name: Bis[2-[[4-(dimethylamino)phenyl]azo]-1,3-dimethyl-1H-imidazolium] tetrachlorozincate(2-)
cas: 68936-17-4
formula: C13H18N5.1/2Cl4Zn
inchikey: OTQJCRJPLGQMGS-UHFFFAOYSA-L
norman_susdat_id: NS00091508
smiles: CN2/C=C\[NH+](C)C2N=Nc1ccc(cc1)N(C)C.Cl[Zn-2](Cl)(Cl)Cl.CN(C)c1ccc(cc1)N=NC2[NH+](C)\C=C/N2C
inchi:
InChI=1/2C13H19N5.4ClH.Zn/c2*1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;;;;;/h2*5-10,13H,1-4H3;4*1H;/q;;;;;;+2/p-2/r2C13H19N5.Cl4Zn/c2*1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-5(2,3)4/h2*5-10,13H,1-4H3;/q;;-2/p+2


cas: 68936-81-2
formula: C5H13O7P
norman_susdat_id: NS00101683
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 2,2-bis(hydroxymethyl)-1,3-propanediol (4:1), phosphate


cas: 68937-23-5
formula: C20H43NO3
norman_susdat_id: NS00101844
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 1-[bis(2-hydroxyethyl)amino]-2-hexadecanol (3:1)


name: Triphenyl phosphates isopropylated
cas: 68937-41-7
chemspiderid: NA
dtxsid: DTXSID4028880
formula: C42H63O5P1
inchikey: CLUQOPMYRMPTGV-UHFFFAOYSA-N
norman_susdat_id: NS00009346
pubchem_cid: NA
smiles: CC(C)(C)c1ccc(OP(Oc2ccc(cc2C(C)(C)C)C(C)(C)C)Oc2c(O)c(O)c(cc2C(C)(C)C)C(C)(C)C)c(c1)C(C)(C)C
inchi:
InChI=1S/C42H63O5P/c1-37(2,3)26-19-21-32(28(23-26)39(7,8)9)45-48(46-33-22-20-27(38(4,5)6)24-29(33)40(10,11)12)47-36-31(42(16,17)18)25-30(41(13,14)15)34(43)35(36)44/h19-25,43-44H,1-18H3


cas: 68938-54-5
dtxsid: DTXSID40102052
norman_susdat_id: NS00113094
name:
SILOXANES AND SILICONES, DIMETHYL, 3-HYDROXYPROPYLMETHYL, ETHERS WITH POLYETHYLENE GLYCOL MONOMETHYL ETHER


name: Benzene-1,2,4,5-tetracarboxylic acid, compound with 1-methyl-1H-imidazole (1:4)
cas: 68938-57-8
formula: C10H6O8.4C4H6N2
inchikey: DIVLCFQIFFAPBU-UHFFFAOYSA-N
norman_susdat_id: NS00091678
smiles: Cn1ccnc1.Cn2ccnc2.Cn3ccnc3.Cn4ccnc4.OC(=O)c5cc(C(=O)O)c(cc5C(=O)O)C(=O)O
inchi:
InChI=1/C10H6O8.4C4H6N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;4*1-6-3-2-5-4-6/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*2-4H,1H3


name: 1-ethyl-2-(2-heptadecenyl)-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate
cas: 68938-60-3
dtxsid: DTXSID1071878
formula: C24H48N2O
inchikey: YBNCSKUFMBXRPV-UHFFFAOYSA-N
norman_susdat_id: NS00063201
pubchem_cid: NA
smiles: O=S(=O)([O-])OCC.OCCN1CC[NH+](CC)C1CC=CCCCCCCCCCCCCCC
inchi:
InChI=1/C24H48N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25(4-2)20-21-26(24)22-23-27;1-2-6-7(3,4)5/h17-18,24,27H,3-16,19-23H2,1-2H3;2H2,1H3,(H,3,4,5)


name: 2-ethylhexyl (5-isocyanato-2-methylphenyl)-carbamate
cas: 68938-61-4
dtxsid: DTXSID10892039
formula: C17H24N2O3
inchikey: MWWURILGWWGBNV-UHFFFAOYSA-N
norman_susdat_id: NS00062981
pubchem_cid: 111459
smiles: O=C=NC1=CC=C(C(=C1)NC(=O)OCC(CC)CCCC)C
inchi:
InChI=1/C17H24N2O3/c1-4-6-7-14(5-2)11-22-17(21)19-16-10-15(18-12-20)9-8-13(16)3/h8-10,14H,4-7,11H2,1-3H3,(H,19,21)


name: 2-hydroxy-3-phenoxypropyl p-toluenesulphonate
cas: 68938-62-5
dtxsid: DTXSID40887599
formula: C16H18O5S
inchikey: ZJLFIBYTDJXIKP-UHFFFAOYSA-N
norman_susdat_id: NS00063443
pubchem_cid: 111460
smiles: O=S(=O)(OCC(O)COC=1C=CC=CC1)C2=CC=C(C=C2)C
inchi:
InChI=1/C16H18O5S/c1-13-7-9-16(10-8-13)22(18,19)21-12-14(17)11-20-15-5-3-2-4-6-15/h2-10,14,17H,11-12H2,1H3


name: 2-[[3-chloro-4-[(4-nitrophenyl)azo]phenyl]ethylamino]ethanol
cas: 68938-63-6
dtxsid: DTXSID90887600
formula: C16H18ClN4O3
inchikey: FCCANCPXZRMTTF-UHFFFAOYSA-N
norman_susdat_id: NS00063202
pubchem_cid: 111851
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2Cl)N(CC)CCO)C=C1
inchi:
InChI=1/C16H17ClN4O3/c1-2-20(9-10-22)14-7-8-16(15(17)11-14)19-18-12-3-5-13(6-4-12)21(23)24/h3-8,11,22H,2,9-10H2,1H3


name: Ethanol, 2,2'-[[3-chloro-4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]imino]bis-, diacetate (ester)
cas: 68938-64-7
chemspiderid: 100296
dtxsid: DTXSID6071879
formula: C20H19Cl3N4O6
inchikey: MWYXQLHONLIBGE-UHFFFAOYSA-N
norman_susdat_id: NS00036766
pubchem_cid: 111852
smiles: CC(=O)OCCN(CCOC(=O)C)c1cc(Cl)c(cc1)N=Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]
inchi:
InChI=1S/C20H19Cl3N4O6/c1-12(28)32-7-5-26(6-8-33-13(2)29)14-3-4-19(16(21)9-14)24-25-20-17(22)10-15(27(30)31)11-18(20)23/h3-4,9-11H,5-8H2,1-2H3


name: Ethanol, 2-[ethyl[4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]-, benzoate (ester)
cas: 68938-65-8
chemspiderid: 100297
dtxsid: DTXSID5071880
formula: C24H21N5O4S1
inchikey: OOFQOIAJJICHQY-UHFFFAOYSA-N
norman_susdat_id: NS00036767
pubchem_cid: 111853
smiles: CCN(CCOC(=O)c1ccccc1)c1ccc(cc1)N=Nc1nc2c(s1)cc(cc2)[N+](=O)[O-]
inchi:
InChI=1S/C24H21N5O4S/c1-2-28(14-15-33-23(30)17-6-4-3-5-7-17)19-10-8-18(9-11-19)26-27-24-25-21-13-12-20(29(31)32)16-22(21)34-24/h3-13,16H,2,14-15H2,1H3/b27-26+


name: Bis[4-[(3-sulphophenyl)azo]naphthalene-1-diazonium] sulphate
cas: 68938-67-0
formula: C16H11N4O3S.1/2O4S
inchikey: ILZDMJTXWHOGOU-UHFFFAOYSA-N
norman_susdat_id: NS00091416
inchi:
InChI=1/2C16H10N4O3S.H2O4S/c2*17-18-15-8-9-16(14-7-2-1-6-13(14)15)20-19-11-4-3-5-12(10-11)24(21,22)23;1-5(2,3)4/h2*1-10H;(H2,1,2,3,4)

smiles:
[O-]S([O-])(=O)=O.OS(=O)(=O)c3cccc(N=Nc2ccc([N+]#N)c1ccccc12)c3.OS(=O)(=O)c3cccc(N=Nc1ccc([N+]#N)c2ccccc12)c3


name: Bis[4-[(5-sulpho-1-naphthyl)azo]naphthalene-1-diazonium] sulphate
cas: 68938-69-2
dtxsid: DTXSID5071882
formula: C20H13N4O3S
inchikey: DRUQSZGIJLBIJU-UHFFFAOYSA-N
norman_susdat_id: NS00063203
pubchem_cid: 111856
inchi:
InChI=1/2C20H12N4O3S.H2O4S/c2*21-22-17-11-12-19(14-6-2-1-5-13(14)17)24-23-18-9-3-8-16-15(18)7-4-10-20(16)28(25,26)27;1-5(2,3)4/h2*1-12H;(H2,1,2,3,4)

smiles:
N#[N+]C1=CC=C(N=NC2=CC=CC=3C2=CC=CC3S(=O)(=O)O)C=4C=CC=CC14.N#[N+]C1=CC=C(N=NC2=CC=CC=3C2=CC=CC3S(=O)(=O)O)C=4C=CC=CC14.O=S(=O)([O-])[O-]


name: 7,12-diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropionic acid dihydrochloride
cas: 68938-72-7
formula: C34H38N4O4.2ClH
inchikey: OWTPPKUUWKEFQK-UHFFFAOYSA-N
norman_susdat_id: NS00091680
smiles: Cl.Cl.CCC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(=C5CC)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O
inchi:
InChI=1/C34H36N4O4.2ClH/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h13-16H,7-12H2,1-6H3,(H,39,40)(H,41,42);2*1H


name: 3,8,13,17-tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropionic acid dihydrochloride
cas: 68938-73-8
dtxsid: DTXSID0071883
formula: C36H44N4O8
inchikey: OCKORMQGKCSFGN-UHFFFAOYSA-N
norman_susdat_id: NS00063000
pubchem_cid: NA
inchi:
InChI=1/C36H36N4O8.2ClH/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;;/h13-16H,5-12H2,1-4H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48);2*1H

smiles:
Cl.Cl.O=C(O)CCC=1C=2N=C(C=C3N=C(C=C4N=C(C=C5N=C(C2)C(=C5CCC(=O)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C1C


cas: 68938-75-0
dtxsid: DTXSID10887602
formula: C21H46N2O3
inchikey: AARYHHIOYWDSLJ-UHFFFAOYSA-N
norman_susdat_id: NS00063444
pubchem_cid: 111464
smiles: Cl.Cl.OC(COC(COCC(CC)CCC)CN(CC)CC)CN(CC)CC
name:
1-(diethylamino)-3-[2-(diethylamino)-1-[[(2-ethylpentyl)oxy]methyl]ethoxy]propan-2-ol dihydrochloride

inchi:
InChI=1/C21H46N2O3.2ClH/c1-7-13-19(8-2)16-25-18-21(15-23(11-5)12-6)26-17-20(24)14-22(9-3)10-4;;/h19-21,24H,7-18H2,1-6H3;2*1H


name: (Z)-1-[4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazol-2-yl]octadec-9-en-1-one phosphate
cas: 68938-78-3
formula: C23H42N2O2
inchikey: BBPOSHDMAXJRFI-KVVVOXFISA-N
norman_susdat_id: NS00063204
pubchem_cid: 6437705
smiles: O=C(C1=NCCN1CCO)CCCCCCCC=CCCCCCCCC.O=P(O)(O)O
inchi:
InChI=1/C23H42N2O2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)23-24-18-19-25(23)20-21-26;1-5(2,3)4/h9-10,26H,2-8,11-21H2,1H3;(H3,1,2,3,4)


name: N-tert-butyl-4,6-bis(tert-butylamino)-1,3,5-triazine-2-sulphenamide
cas: 68938-90-9
dtxsid: DTXSID5071884
formula: C15H30N6S
inchikey: XUINYYDBYPZYTB-UHFFFAOYSA-N
norman_susdat_id: NS00063205
pubchem_cid: 111864
smiles: N=1C(=NC(=NC1NC(C)(C)C)NC(C)(C)C)SNC(C)(C)C
inchi:
InChI=1/C15H30N6S/c1-13(2,3)19-10-16-11(20-14(4,5)6)18-12(17-10)22-21-15(7,8)9/h21H,1-9H3,(H2,16,17,18,19,20)


name: Phenoxytetrapropylenebenzene
cas: 68938-96-5
dtxsid: DTXSID5028900
formula: C24H34O
inchikey: SJVPNPBPNHHOQS-UHFFFAOYSA-N
norman_susdat_id: NS00064487
pubchem_cid: 22833369
smiles: O(C=1C=CC=CC1)C2=CC=CC(=C2)CC(C)C(CCC)C(C)CCC
inchi:
InChI=1/C24H34O/c1-5-11-19(3)24(12-6-2)20(4)17-21-13-10-16-23(18-21)25-22-14-8-7-9-15-22/h7-10,13-16,18-20,24H,5-6,11-12,17H2,1-4H3


name: Octadecadienoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 68938-98-7
formula: C18H32O2.C6H15NO3
inchikey: FWQVMDXVPYRCCJ-UHFFFAOYSA-N
norman_susdat_id: NS00091683
smiles: OCCN(CCO)CCO.CCCCCCCCCCCCCC=CC=CC(O)=O
inchi:
InChI=1/C18H32O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4-1-7(2-5-9)3-6-10/h14-17H,2-13H2,1H3,(H,19,20);8-10H,1-6H2


name: Jasmonic acid
cas: 6894-38-8
chebiid: CHEBI:18292
chemspiderid: 4444606
dtxsid: DTXSID4037665
formula: C12H18O3
inchikey: ZNJFBWYDHIGLCU-HWKXXFMVSA-N
norman_susdat_id: NS00014858
pubchem_cid: 5281166
smiles: O=C1C(C/C=C/CC)C(CC(=O)O)CC1
inchi:
InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1


name: Kahweol
cas: 6894-43-5
chemspiderid: 102755
formula: C20H26O3
inchikey: JEKMKNDURXDJAD-JUKDXYPLSA-N
norman_susdat_id: NS00018058
pubchem_cid: 15940202
smiles: CC12C=CC3=C(C1CCC45C2CCC(C4)C(C5)(CO)O)C=CO3
inchi:
InChI=1S/C20H26O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h5-7,9,13,15,17,21-22H,2-4,8,10-12H2,1H3/t13-,15?,17?,18-,19+,20+/m1/s1


cas: 68942-32-5
dtxsid: DTXSID70988669
formula: C42H45ClN7O
inchikey: ZRIMVGGATAJQIO-UHFFFAOYSA-N
norman_susdat_id: NS00064488
pubchem_cid: NA
name:
3,8-diamino-5-[3-[[3-[[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]amino]propyl]amino]propyl]-6-phenylphenanthridinium chloride pentahydrochloride

inchi:
InChI=1/C42H44ClN7O.6ClH/c1-51-32-13-17-38-37(27-32)41(35-14-10-29(43)24-39(35)49-38)48-22-6-20-46-18-5-19-47-21-7-23-50-40-26-31(45)12-16-34(40)33-15-11-30(44)25-36(33)42(50)28-8-3-2-4-9-28;;;;;;/h2-4,8-17,24-27,45-47H,5-7,18-23,44H2,1H3,(H,48,49);6*1H

smiles:
[Cl-].Cl.Cl.Cl.Cl.Cl.ClC=1C=CC=2C(=NC=3C=CC(OC)=CC3C2NCCCNCCCNCCC[N+]=4C=5C=C(N)C=CC5C=6C=CC(N)=CC6C4C=7C=CC=CC7)C1


name: 1,2-Benzenedicarboxylic acid, C4-13-branched alkyl esters
cas: 68951-39-3
dtxsid: DTXSID0028901
formula: C18H26O4
inchikey: MZLKGKRQKLIVBS-UHFFFAOYSA-N
norman_susdat_id: NS00064489
pubchem_cid: 22833370
smiles: O=C(OCC(C)CC)C=1C=CC=CC1C(=O)OCC(C)CC
inchi:
InChI=1/C18H26O4/c1-5-13(3)11-21-17(19)15-9-7-8-10-16(15)18(20)22-12-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3


cas: 68951-85-9
dtxsid: DTXSID00102093
norman_susdat_id: NS00113565
name:
Fatty acids, tall-oil, polymers with bisphenol A, diethylenetriamine, epichlorohydrin and tetraethylenepentamine


name: Benzenesulfonic acid, mono-C11-13-branched alkyl derivs., calcium salts
cas: 68953-96-8
dtxsid: DTXSID9028916
formula: C17H28O3S
inchikey: AHXAFRYDOIIROB-UHFFFAOYSA-L
norman_susdat_id: NS00066747
pubchem_cid: NA
smiles: [Ca+2].O=S(=O)([O-])C1=CC=C(C=C1)CCCCCCC(CC)CC.O=S(=O)([O-])C1=CC=C(C=C1)CCCCCCC(CC)CC
inchi:
InChI=1/2C17H28O3S.Ca/c2*1-3-15(4-2)9-7-5-6-8-10-16-11-13-17(14-12-16)21(18,19)20;/h2*11-15H,3-10H2,1-2H3,(H,18,19,20);/q;;+2/p-2


cas: 68954-01-8
chemspiderid: 100019
dtxsid: DTXSID90883006
formula: C28H33Cl3F6O11
inchikey: KVXVLCBFSKMBAR-UHFFFAOYSA-N
norman_susdat_id: NS00006303
pubchem_cid: 111466
smiles: CCCC(F)(F)C(F)(F)C(F)(F)CCCOC(CCl)COC(=O)c1cc(C(O)=O)c(cc1C(=O)OCC(O)CCl)C(=O)OCC(O)CCl
name:
1,2,4,5-Benzenetetracarboxylic acid, mixed 3-chloro-2-hydroxypropyl and .gamma.-.omega.-perfluoro-C8-10-alkyl esters

inchi:
InChI=1S/C28H33Cl3F6O11/c1-2-4-26(32,33)28(36,37)27(34,35)5-3-6-45-17(11-31)14-48-25(44)20-7-18(22(40)41)19(23(42)46-12-15(38)9-29)8-21(20)24(43)47-13-16(39)10-30/h7-8,15-17,38-39H,2-6,9-14H2,1H3,(H,40,41)


name: SODIUM C12-18 ALKYL SULFATE
cas: 68955-19-1
chemspiderid: 55504
formula: C15H32O4S1
inchikey: COUMKTRLCGRAAA-UHFFFAOYSA-N
norman_susdat_id: NS00014045
pubchem_cid: 61596
smiles: [Na+].CCCCCCCCCCCCCCCO[S]([O-])(=O)=O
inchi:
InChI=1S/C15H32O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18;/h2-15H2,1H3,(H,16,17,18);/q;+1/p-1


name: Quaternary ammonium compounds, C12-18-alkyl[(ethylphenyl)methyl]dimethyl, chlorides
cas: 68956-79-6
dtxsid: DTXSID20872367
formula: C25H46N
inchikey: QPDOMSFIXQWROY-UHFFFAOYSA-M
norman_susdat_id: NS00061728
pubchem_cid: 10157558
smiles: [Cl-].C=1C=C(C=CC1CC)C[N+](C)(C)CCCCCCCCCCCCCC
inchi:
InChI=1/C25H46N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-22-26(3,4)23-25-20-18-24(6-2)19-21-25;/h18-21H,5-17,22-23H2,1-4H3;1H/q+1;/p-1


name: Glycine, N-ethyl-N-[(undecafluoropentyl)sulfonyl]-
cas: 68957-31-3
chemspiderid: 95094
dtxsid: DTXSID5071888
formula: C9H8F11N1O4S1
inchikey: MJELJHFNXRAPHF-UHFFFAOYSA-N
norman_susdat_id: NS00011121
pubchem_cid: 105443
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)O)C
inchi:
InChI=1S/C9H8F11NO4S/c1-2-21(3-4(22)23)26(24,25)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18/h2-3H2,1H3,(H,22,23)


name: N-Ethyl-N-((tridecafluorohexyl)sulfonyl)glycine
cas: 68957-32-4
chemspiderid: 95096
dtxsid: DTXSID0071889
formula: C10H8F13N1O4S1
inchikey: ISFCQODURJEALJ-UHFFFAOYSA-N
norman_susdat_id: NS00011122
pubchem_cid: 105445
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)O)C
inchi:
InChI=1S/C10H8F13NO4S/c1-2-24(3-4(25)26)29(27,28)10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h2-3H2,1H3,(H,25,26)


name: N-Ethyl-N-[(nonafluorobutyl)sulfonyl]glycine
cas: 68957-33-5
chemspiderid: 95092
dtxsid: DTXSID9071890
formula: C8H8F9N1O4S1
inchikey: PAOHBPWWJXVFBM-UHFFFAOYSA-N
norman_susdat_id: NS00011120
pubchem_cid: 105441
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)O)C
inchi:
InChI=1S/C8H8F9NO4S/c1-2-18(3-4(19)20)23(21,22)8(16,17)6(11,12)5(9,10)7(13,14)15/h2-3H2,1H3,(H,19,20)


cas: 68957-35-7
dtxsid: DTXSID9071892
formula: C23H29ClN4O3S
inchikey: DOQBXOUTLQRLFL-UHFFFAOYSA-N
norman_susdat_id: NS00061729
pubchem_cid: 111888
smiles: O=CO.O=C(NCCCN(C)C)CCS(=O)(=O)C1=CC=C(C=C1)N2N=C(C=3C=CC(Cl)=CC3)CC2
name:
Formic acid, compound with 3-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-N-[3-(dimethylamino)propyl]propionamide (1:1)

inchi:
InChI=1/C23H29ClN4O3S.CH2O2/c1-27(2)15-3-14-25-23(29)13-17-32(30,31)21-10-8-20(9-11-21)28-16-12-22(26-28)18-4-6-19(24)7-5-18;2-1-3/h4-11H,3,12-17H2,1-2H3,(H,25,29);1H,(H,2,3)


name: Benzenesulfonamide, N-(4-aminophenyl)-4-methyl-N-(phenylmethyl)-
cas: 68957-37-9
chemspiderid: 100327
dtxsid: DTXSID9071894
formula: C20H20N2O2S1
inchikey: KICSZWPFAXOJMY-UHFFFAOYSA-N
norman_susdat_id: NS00036768
pubchem_cid: 111891
smiles: Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(N)cc1
inchi:
InChI=1S/C20H20N2O2S/c1-16-7-13-20(14-8-16)25(23,24)22(15-17-5-3-2-4-6-17)19-11-9-18(21)10-12-19/h2-14H,15,21H2,1H3


cas: 68957-39-1
dtxsid: DTXSID00890009
formula: C24H13ClF2N10O12S3
inchikey: APTYIBHTLARFEV-UHFFFAOYSA-K
norman_susdat_id: NS00063311
pubchem_cid: 166065
name:
Trisodium 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-[4-[(hexahydro-2,4,6-trioxopyrimidin-5-yl)azo]-3-sulphonatophenyl]-2H-naphtho[1,2-d]triazole-5,9-disulphonate

inchi:
InChI=1/C24H13ClF2N10O12S3.3Na/c25-16-19(26)29-23(27)30-20(16)28-7-3-9-12(50(41,42)43)6-11-17(15(9)14(4-7)52(47,48)49)36-37(35-11)8-1-2-10(13(5-8)51(44,45)46)33-34-18-21(38)31-24(40)32-22(18)39;;;/h1-6,18H,(H,28,29,30)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,31,32,38,39,40);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1NC(=O)C(N=NC2=CC=C(C=C2S(=O)(=O)[O-])N3N=C4C=C(C=5C=C(C=C(C5C4=N3)S(=O)(=O)[O-])NC=6N=C(F)N=C(F)C6Cl)S(=O)(=O)[O-])C(=O)N1


cas: 68957-40-4
dtxsid: DTXSID10890010
formula: C27H18ClF2N5O7S
inchikey: IBGZZMMADFIRMG-UHFFFAOYSA-L
norman_susdat_id: NS00062267
pubchem_cid: 111892
name:
Disodium N-[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthracenyl)amino]phenyl]-N-(5-chloro-2,6-difluoro-4-pyrimidinyl)-ß-alaninate

inchi:
InChI=1/C27H18ClF2N5O7S.2Na/c28-21-25(29)33-27(30)34-26(21)35(10-9-18(36)37)13-7-5-12(6-8-13)32-16-11-17(43(40,41)42)22(31)20-19(16)23(38)14-3-1-2-4-15(14)24(20)39;;/h1-8,11,32H,9-10,31H2,(H,36,37)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])CCN(C1=CC=C(C=C1)NC=2C=C(C(N)=C3C(=O)C=4C=CC=CC4C(=O)C23)S(=O)(=O)[O-])C=5N=C(F)N=C(F)C5Cl


name: Benzenesulfonic acid, 2-amino-5-(4-cyclohexylphenoxy)-
cas: 68957-41-5
chemspiderid: 98515
dtxsid: DTXSID4071895
formula: C18H21N1O4S1
inchikey: MRGHMZUKQOHAFR-UHFFFAOYSA-N
norman_susdat_id: NS00036769
pubchem_cid: 111894
smiles: Nc1c(cc(Oc2ccc(cc2)C2CCCCC2)cc1)S(=O)(=O)O
inchi:
InChI=1S/C18H21NO4S/c19-17-11-10-16(12-18(17)24(20,21)22)23-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-13H,1-5,19H2,(H,20,21,22)


name: Benzenesulfonic acid, 4-[(3-amino-4-methylphenyl)amino]-3-nitro-
cas: 68957-42-6
chemspiderid: 90006
dtxsid: DTXSID9071896
formula: C13H13N3O5S1
inchikey: LFOSDVFXPFUHBH-UHFFFAOYSA-N
norman_susdat_id: NS00036770
pubchem_cid: 111895
smiles: Cc1c(N)cc(Nc2c(cc(cc2)S(=O)(=O)O)[N+](=O)[O-])cc1
inchi:
InChI=1S/C13H13N3O5S/c1-8-2-3-9(6-11(8)14)15-12-5-4-10(22(19,20)21)7-13(12)16(17)18/h2-7,15H,14H2,1H3,(H,19,20,21)


name: 1,3,5-Triazine-2-acetamide, 1,4,5,6-tetrahydro-N-(2-methoxyphenyl)-4,6-dioxo-
cas: 68957-43-7
chemspiderid: 90855
dtxsid: DTXSID4071897
formula: C12H12N4O4
inchikey: WZQRSZBDOYBYFK-UHFFFAOYSA-N
norman_susdat_id: NS00036771
pubchem_cid: 100557
smiles: COc1ccccc1NC(=O)Cc1nc(=O)[nH]c(=O)[nH]1
inchi:
InChI=1S/C12H12N4O4/c1-20-8-5-3-2-4-7(8)13-10(17)6-9-14-11(18)16-12(19)15-9/h2-5H,6H2,1H3,(H,13,17)(H2,14,15,16,18,19)


name: Ethyl(2-hydroxyethyl)[2-(stearoylamino)ethyl]ammonium ethyl sulphate
cas: 68957-51-7
dtxsid: DTXSID50887606
formula: C24H50N2O2
inchikey: HLQNAPRAEZTSLD-UHFFFAOYSA-N
norman_susdat_id: NS00062054
pubchem_cid: 111903
smiles: O=C(NCC[NH+](CC)CCO)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])OCC
inchi:
InChI=1/C24H50N2O2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)25-20-21-26(4-2)22-23-27;1-2-6-7(3,4)5/h27H,3-23H2,1-2H3,(H,25,28);2H2,1H3,(H,3,4,5)


name: Glycine, N-ethyl-N-[(tridecafluorohexyl)sulfonyl]-, ethyl ester
cas: 68957-53-9
chemspiderid: 100338
dtxsid: DTXSID6071902
formula: C12H12F13N1O4S1
inchikey: CTKLJYAZSQZYAO-UHFFFAOYSA-N
norman_susdat_id: NS00011123
pubchem_cid: 111904
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)OCC)C
inchi:
InChI=1S/C12H12F13NO4S/c1-3-26(5-6(27)30-4-2)31(28,29)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23/h3-5H2,1-2H3


name: Glycine, N-ethyl-N-[(pentadecafluoroheptyl)sulfonyl]-, ethyl ester
cas: 68957-54-0
chemspiderid: 100339
dtxsid: DTXSID1071903
formula: C13H12F15N1O4S1
inchikey: SGKAKWJMQQSXDU-UHFFFAOYSA-N
norman_susdat_id: NS00011125
pubchem_cid: 111905
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)OCC)C
inchi:
InChI=1S/C13H12F15NO4S/c1-3-29(5-6(30)33-4-2)34(31,32)13(27,28)11(22,23)9(18,19)7(14,15)8(16,17)10(20,21)12(24,25)26/h3-5H2,1-2H3


name: 3-((Perfluoropentylsulfonyl)amino)-N,N,N-trimethylpropanaminium chloride
cas: 68957-55-1
chemspiderid: 100340
dtxsid: DTXSID10880618
formula: C11H16F11N2O2S1
inchikey: CFFXMGKYQIYDHJ-UHFFFAOYSA-N
norman_susdat_id: NS00011415
pubchem_cid: 111907
smiles: C(N[S](C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O)CC[N+](C)(C)C.[Cl-]
inchi:
InChI=1S/C11H16F11N2O2S.ClH/c1-24(2,3)6-4-5-23-27(25,26)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20;/h23H,4-6H2,1-3H3;1H/q+1;/p-1


name: Trimethyl-3-[[(undecafluoropentyl)sulphonyl]amino]propylammonium iodide
cas: 68957-57-3
formula: C11H16F11N2O2S.I
inchikey: MWKSAQOKDXBQAJ-UHFFFAOYSA-M
norman_susdat_id: NS00090950
smiles: [I-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C11H16F11N2O2S.HI/c1-24(2,3)6-4-5-23-27(25,26)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20;/h23H,4-6H2,1-3H3;1H/q+1;/p-1


name: 3-((Perfluorohexylsulfonyl)amino)-N,N,N-trimethyl-1-propanaminium iodide
cas: 68957-58-4
chemspiderid: 100343
dtxsid: DTXSID90880939
formula: C12H16F13N2O2S1
inchikey: OWBYGXNKMFLAMD-UHFFFAOYSA-N
norman_susdat_id: NS00011416
pubchem_cid: 104103
smiles: C(N[S](C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O)CC[N+](C)(C)C.[I-]
inchi:
InChI=1S/C12H16F13N2O2S.HI/c1-27(2,3)6-4-5-26-30(28,29)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23;/h26H,4-6H2,1-3H3;1H/q+1;/p-1


name: N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonamide monohydrochloride
cas: 68957-59-5
formula: C9H13F9N2O2S.ClH
inchikey: DQXUCRIDVIRDMO-UHFFFAOYSA-N
norman_susdat_id: NS00091055
smiles: Cl.CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C9H13F9N2O2S.ClH/c1-20(2)5-3-4-19-23(21,22)9(17,18)7(12,13)6(10,11)8(14,15)16;/h19H,3-5H2,1-2H3;1H


cas: 68957-60-8
formula: C10H13F11N2O2S.ClH
inchikey: JMNCANKNSXHVCP-UHFFFAOYSA-N
norman_susdat_id: NS00090956
smiles: Cl.CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
name:
N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulphonamide monohydrochloride

inchi:
InChI=1/C10H13F11N2O2S.ClH/c1-23(2)5-3-4-22-26(24,25)10(20,21)8(15,16)6(11,12)7(13,14)9(17,18)19;/h22H,3-5H2,1-2H3;1H


name: N-[3-(dimethylamino)propyl]tridecafluorohexanesulphonamide monohydrochloride
cas: 68957-61-9
formula: C11H13F13N2O2S.ClH
inchikey: FOFYISWSOGYVOH-UHFFFAOYSA-N
norman_susdat_id: NS00091070
smiles: Cl.CN(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C11H13F13N2O2S.ClH/c1-26(2)5-3-4-25-29(27,28)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22;/h25H,3-5H2,1-2H3;1H


name: 1-Heptanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoro-
cas: 68957-62-0
chemspiderid: 100348
dtxsid: DTXSID1071907
formula: C9H6F15N1O2S1
inchikey: WMOMXEHEPXLIAV-UHFFFAOYSA-N
norman_susdat_id: NS00011248
pubchem_cid: 111914
smiles: C(N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C
inchi:
InChI=1S/C9H6F15NO2S/c1-2-25-28(26,27)9(23,24)7(18,19)5(14,15)3(10,11)4(12,13)6(16,17)8(20,21)22/h25H,2H2,1H3


name: Glycine, N-ethyl-N-[(pentadecafluoroheptyl)sulfonyl]-
cas: 68957-63-1
chemspiderid: 95107
dtxsid: DTXSID6071908
formula: C11H8F15N1O4S1
inchikey: IOQHTIQMCISFKB-UHFFFAOYSA-N
norman_susdat_id: NS00011124
pubchem_cid: 105456
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)O)C
inchi:
InChI=1S/C11H8F15NO4S/c1-2-27(3-4(28)29)32(30,31)11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24/h2-3H2,1H3,(H,28,29)


name: N-[[4-[2-[4-(benzoxazol-2-yl)phenyl]vinyl]benzoyl]oxy]acetamidine
cas: 68957-66-4
dtxsid: DTXSID0071910
formula: C24H19N3O3
inchikey: BPNQCRZMIZEIKS-VOTSOKGWSA-N
norman_susdat_id: NS00061774
pubchem_cid: NA
smiles: O=C(ONC(=N)C)C1=CC=C(C=CC2=CC=C(C=C2)C3=NC=4C=CC=CC4O3)C=C1
inchi:
InChI=1/C24H19N3O3/c1-16(25)27-30-24(28)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)29-23/h2-15H,1H3,(H2,25,27)


name: Acetamide, N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-(ethylamino)-4-(2-methoxyethoxy)phenyl]-
cas: 68957-67-5
chemspiderid: 98169
dtxsid: DTXSID5071911
formula: C19H21Cl1N6O7
inchikey: MGMDGPHTYZIJCK-UHFFFAOYSA-N
norman_susdat_id: NS00036774
pubchem_cid: 111917
smiles: CCNc1cc(NC(=O)C)c(cc1OCCOC)N=Nc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C19H21ClN6O7/c1-4-21-16-9-14(22-11(2)27)15(10-18(16)33-6-5-32-3)23-24-19-13(20)7-12(25(28)29)8-17(19)26(30)31/h7-10,21H,4-6H2,1-3H3,(H,22,27)/b24-23+


name: Disodium 2,2'-methylenebis[4,6-dichlorophenolate]
cas: 68957-70-0
formula: C13H8Cl4O2.2Na
inchikey: HWMSTPYCOZSCRP-UHFFFAOYSA-L
norman_susdat_id: NS00090837
smiles: [Na+].[Na+].[O-]c1c(Cl)cc(Cl)cc1Cc2cc(Cl)cc(Cl)c2[O-]
inchi:
InChI=1/C13H8Cl4O2.2Na/c14-8-2-6(12(18)10(16)4-8)1-7-3-9(15)5-11(17)13(7)19;;/h2-5,18-19H,1H2;;/q;2*+1/p-2


name: Glycerol triisopalmitate
cas: 68957-79-9
chemspiderid: 100353
dtxsid: DTXSID5071913
formula: C51H98O6
inchikey: FUTGDWNFCMWSJT-UHFFFAOYSA-N
norman_susdat_id: NS00014174
pubchem_cid: 111921
smiles: CC(C)CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C51H98O6/c1-45(2)37-31-25-19-13-7-10-16-22-28-34-40-49(52)55-43-48(57-51(54)42-36-30-24-18-12-9-15-21-27-33-39-47(5)6)44-56-50(53)41-35-29-23-17-11-8-14-20-26-32-38-46(3)4/h45-48H,7-44H2,1-6H3


name: Neopentyl glycol diisopalmitate
cas: 68957-80-2
chemspiderid: 98525
dtxsid: DTXSID0071914
formula: C37H72O4
inchikey: HQMSGQNZOKIETL-UHFFFAOYSA-N
norman_susdat_id: NS00036775
pubchem_cid: 111922
smiles: CC(C)CCCCCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C37H72O4/c1-33(2)27-23-19-15-11-7-9-13-17-21-25-29-35(38)40-31-37(5,6)32-41-36(39)30-26-22-18-14-10-8-12-16-20-24-28-34(3)4/h33-34H,7-32H2,1-6H3


name: Pentaerythritol tetraisopalmitate
cas: 68957-81-3
chemspiderid: 85403
dtxsid: DTXSID5071915
formula: C69H132O8
inchikey: SBSKDQAYPPMLKA-UHFFFAOYSA-N
norman_susdat_id: NS00036776
pubchem_cid: 94646
inchi:
InChI=1S/C69H132O8/c1-61(2)49-41-33-25-17-9-13-21-29-37-45-53-65(70)74-57-69(58-75-66(71)54-46-38-30-22-14-10-18-26-34-42-50-62(3)4,59-76-67(72)55-47-39-31-23-15-11-19-27-35-43-51-63(5)6)60-77-68(73)56-48-40-32-24-16-12-20-28-36-44-52-64(7)8/h61-64H,9-60H2,1-8H3

smiles:
CC(C)CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C


name: GLYCERYL DIISOSTEA- RATE
cas: 68958-48-5
chemspiderid: 2298923
formula: C39H76O5
inchikey: CMPDPBDUZTUXAD-UHFFFAOYSA-N
norman_susdat_id: NS00013692
pubchem_cid: 3034483
smiles: CC(C)CCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C39H76O5/c1-35(2)29-25-21-17-13-9-5-7-11-15-19-23-27-31-38(41)43-34-37(33-40)44-39(42)32-28-24-20-16-12-8-6-10-14-18-22-26-30-36(3)4/h35-37,40H,5-34H2,1-4H3


name: Stearic acid diamide with 3-[[2-[(2-aminoethyl)amino]ethyl]amino]propanenitrile
cas: 68958-49-6
chemspiderid: 100356
dtxsid: DTXSID0071916
formula: C43H84N4O2
inchikey: GSDRHHBTWYHUJM-UHFFFAOYSA-N
norman_susdat_id: NS00036777
pubchem_cid: 111924
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)C(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C43H84N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-42(48)46-39-41-47(40-38-45-37-33-36-44)43(49)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45H,3-35,37-41H2,1-2H3,(H,46,48)


name: ß-dodecenyl-<U+03B3>-oxopiperidine-1-butyric acid
cas: 68958-51-0
formula: C21H37NO3
inchikey: CPFFRNURLMULII-UHFFFAOYSA-N
norman_susdat_id: NS00061791
pubchem_cid: 57352694
smiles: O=C(O)CC(C=CCCCCCCCCCC)C(=O)N1CCCCC1
inchi:
InChI=1/C21H37NO3/c1-2-3-4-5-6-7-8-9-10-12-15-19(18-20(23)24)21(25)22-16-13-11-14-17-22/h12,15,19H,2-11,13-14,16-18H2,1H3,(H,23,24)


name: 4-Nitro-4'-isooctyldiphenyl ether
cas: 68958-53-2
chemspiderid: 98531
dtxsid: DTXSID5071917
formula: C20H25N1O3
inchikey: JGJYBIMETXRNKX-UHFFFAOYSA-N
norman_susdat_id: NS00036778
pubchem_cid: 111926
smiles: CC(C)CCCCCc1ccc(Oc2ccc(cc2)[N+](=O)[O-])cc1
inchi:
InChI=1S/C20H25NO3/c1-16(2)6-4-3-5-7-17-8-12-19(13-9-17)24-20-14-10-18(11-15-20)21(22)23/h8-16H,3-7H2,1-2H3


name: PROPYLENE GLYCOL DII- SOSTEARATE
cas: 68958-54-3
chemspiderid: 100359
formula: C39H76O4
inchikey: OATHWIHWTWDNLJ-UHFFFAOYSA-N
norman_susdat_id: NS00014014
pubchem_cid: 111927
smiles: CC(C)CCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C39H76O4/c1-35(2)30-26-22-18-14-10-6-8-12-16-20-24-28-32-38(40)42-34-37(5)43-39(41)33-29-25-21-17-13-9-7-11-15-19-23-27-31-36(3)4/h35-37H,6-34H2,1-5H3


cas: 68958-58-7
formula: C21H42O4
norman_susdat_id: NS00101894
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 1,2,3-propanetriol mono(16-methylheptadecanoate) (2:1)


cas: 68958-59-8
formula: C21H40O5
norman_susdat_id: NS00101244
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 1,2,3-propanetriol mono[(9Z,12R)-12-hydroxy-9-octadecenoate] (2:1)


cas: 68958-60-1
formula: C12H12F15NO3S
norman_susdat_id: NS00101735
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-[ethyl[(pentadecafluoroheptyl)sulfonyl]amino]ethyl]-.omega.-methoxy-


cas: 68958-61-2
formula: C13H12F17NO3S
norman_susdat_id: NS00101738
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-[ethyl[(heptadecafluorooctyl)sulfonyl]amino]ethyl]-.omega.-methoxy-


cas: 68958-62-3
formula: C10H26N2O
norman_susdat_id: NS00101905
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-(trimethylammonio)ethyl]-.omega.-[2-(trimethylammonio)ethoxy]-, dichloride


cas: 68958-63-4
formula: C12H28N2O5
norman_susdat_id: NS00101352
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-[bis(2-hydroxyethyl)amino]ethyl]-.omega.-[2-[bis(2-hydroxyethyl)amino]ethoxy]-


cas: 68958-77-0
formula: C28H37ClO10
norman_susdat_id: NS00107541
name:
2-Propenoic acid, monoester with 1,2-propanediol, polymer with 2-(chloromethyl)oxirane, dihydro-2,5-furandione and 4,4'-(1-methylethylidene)bis[phenol]


name: [(1-methylpropan-1-yl-3-ylidene)tris[2-tert-butyl-5-methyl-p-phenylene]]tris[di(tridecyl)phosphine]
cas: 68958-97-4
formula: C115H211P3
inchikey: RAPBBFJPGSOSCR-UHFFFAOYSA-N
norman_susdat_id: NS00062296
pubchem_cid: NA
inchi:
InChI=1/C115H211P3/c1-20-26-32-38-44-50-56-62-68-74-80-86-116(87-81-75-69-63-57-51-45-39-33-27-21-2)110-96-107(113(11,12)13)103(93-100(110)8)99(7)92-104(105-94-101(9)111(97-108(105)114(14,15)16)117(88-82-76-70-64-58-52-46-40-34-28-22-3)89-83-77-71-65-59-53-47-41-35-29-23-4)106-95-102(10)112(98-109(106)115(17,18)19)118(90-84-78-72-66-60-54-48-42-36-30-24-5)91-85-79-73-67-61-55-49-43-37-31-25-6/h93-99,104H,20-92H2,1-19H3

smiles:
C=1C(=C(C=C(C1C(C)(C)C)C(C2=CC(=C(C=C2C(C)(C)C)P(CCCCCCCCCCCCC)CCCCCCCCCCCCC)C)CC(C3=CC(=C(C=C3C(C)(C)C)P(CCCCCCCCCCCCC)CCCCCCCCCCCCC)C)C)C)P(CCCCCCCCCCCCC)CCCCCCCCCCCCC


name: Sodium 3-[[4-[(4-hydroxyphenyl)azo]-1-naphthyl]azo]benzenesulphonate
cas: 68958-98-5
dtxsid: DTXSID20887618
formula: C22H16N4O4S
inchikey: JERQGCCANBFCPP-UHFFFAOYSA-M
norman_susdat_id: NS00062105
pubchem_cid: 111932
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(N=NC3=CC=C(O)C=C3)C=4C=CC=CC24)C1
inchi:
InChI=1/C22H16N4O4S.Na/c27-17-10-8-15(9-11-17)23-25-21-12-13-22(20-7-2-1-6-19(20)21)26-24-16-4-3-5-18(14-16)31(28,29)30;/h1-14,27H,(H,28,29,30);/q;+1/p-1


cas: 68958-99-6
dtxsid: DTXSID0071918
formula: C28H27N7O9S2
inchikey: QVZPJMCMFREZIC-UHFFFAOYSA-L
norman_susdat_id: NS00061792
pubchem_cid: 135602180
name:
Disodium 3-[[3-methoxy-4-[[[2-methoxy-5-methyl-4-[(3-sulphonatophenyl)azo]anilino]carbamoyl]amino]phenyl]azo]benzenesulphonate

inchi:
InChI=1/C28H27N7O9S2.2Na/c1-17-12-25(27(44-3)16-24(17)33-32-19-7-5-9-22(14-19)46(40,41)42)34-35-28(36)29-23-11-10-20(15-26(23)43-2)31-30-18-6-4-8-21(13-18)45(37,38)39;;/h4-16,34H,1-3H3,(H2,29,35,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NNC1=CC(=C(N=NC2=CC=CC(=C2)S(=O)(=O)[O-])C=C1OC)C)NC3=CC=C(N=NC4=CC=CC(=C4)S(=O)(=O)[O-])C=C3OC


name: Sodium 3-[[4-[(2-ethoxy-5-methylphenyl)azo]-1-naphthyl]azo]benzenesulphonate
cas: 68959-00-2
formula: C25H22N4O4S.Na
inchikey: PHBKXNWUWOCVEI-UHFFFAOYSA-M
norman_susdat_id: NS00090838
smiles: [Na+].CCOc4ccc(C)cc4N=Nc3ccc(N=Nc1cccc(c1)S([O-])(=O)=O)c2ccccc23
inchi:
InChI=1/C25H22N4O4S.Na/c1-3-33-25-14-11-17(2)15-24(25)29-28-23-13-12-22(20-9-4-5-10-21(20)23)27-26-18-7-6-8-19(16-18)34(30,31)32;/h4-16H,3H2,1-2H3,(H,30,31,32);/q;+1/p-1


name: Sodium 4-chloro-3-[[4-[(4-ethoxyphenyl)azo]phenyl]azo]benzenesulphonate
cas: 68959-01-3
dtxsid: DTXSID5071919
formula: C20H17ClN4O4S
inchikey: KCZQZVXCJSWDIK-UHFFFAOYSA-M
norman_susdat_id: NS00061793
pubchem_cid: 111937
smiles: [Na+].O=S(=O)([O-])C1=CC=C(Cl)C(N=NC2=CC=C(N=NC3=CC=C(OCC)C=C3)C=C2)=C1
inchi:
InChI=1/C20H17ClN4O4S.Na/c1-2-29-17-9-7-16(8-10-17)23-22-14-3-5-15(6-4-14)24-25-20-13-18(30(26,27)28)11-12-19(20)21;/h3-13H,2H2,1H3,(H,26,27,28);/q;+1/p-1


name: Sodium hydrogen 9-sulphonatooctadecenoate
cas: 68959-02-4
dtxsid: DTXSID4071920
formula: C18H34O5S
inchikey: RYULGCZGLAKUAZ-UHFFFAOYSA-M
norman_susdat_id: NS00063340
pubchem_cid: NA
smiles: [H+].[Na+].O=C([O-])C=CCCCCCC(CCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C18H34O5S.Na.H2/c1-2-3-4-5-6-8-11-14-17(24(21,22)23)15-12-9-7-10-13-16-18(19)20;;/h13,16-17H,2-12,14-15H2,1H3,(H,19,20)(H,21,22,23);;1H/q;2*+1/p-2


name: 1,3a,4,4a,7,7a,8,8a-octahydro-1,7-bis(trimethylsilyl)-4,8-methanobenzo[1,2-d:4,5-d']bistriazole
cas: 68959-07-9
dtxsid: DTXSID50887621
formula: C13H26N6Si2
inchikey: YZHFDDYDQPKJBS-UHFFFAOYSA-N
norman_susdat_id: NS00062106
pubchem_cid: 111942
smiles: N1=NC2C(N1[Si](C)(C)C)C3CC2C4N=NN(C43)[Si](C)(C)C
inchi:
InChI=1/C13H26N6Si2/c1-20(2,3)18-12-9-7-8(10(12)14-16-18)11-13(9)19(17-15-11)21(4,5)6/h8-13H,7H2,1-6H3


name: N-[2-(2-heptadecyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]stearamide monoacetate
cas: 68959-08-0
formula: C40H79N3O.C2H4O2
inchikey: FXLFJBIVODKHBB-UHFFFAOYSA-N
norman_susdat_id: NS00090964
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCN1CCN=C1CCCCCCCCCCCCCCCCC.CC(=O)O
inchi:
InChI=1/C40H79N3O.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-37-43(39)38-36-42-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h3-38H2,1-2H3,(H,42,44);1H3,(H,3,4)


name: 2-Naphthalenesulfonic acid, 3-[(6-sulfo-2-naphthalenyl)methyl]-
cas: 68959-09-1
chemspiderid: 98174
dtxsid: DTXSID4071922
formula: C21H16O6S2
inchikey: DPUKNSROARQMKW-UHFFFAOYSA-N
norman_susdat_id: NS00036779
pubchem_cid: 111945
smiles: OS(=O)(=O)c1cc2c(cc1)cc(Cc1c(cc3ccccc3c1)S(=O)(=O)O)cc2
inchi:
InChI=1S/C21H16O6S2/c22-28(23,24)20-8-7-17-9-14(5-6-18(17)12-20)10-19-11-15-3-1-2-4-16(15)13-21(19)29(25,26)27/h1-9,11-13H,10H2,(H,22,23,24)(H,25,26,27)


name: Tribarium bis[4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxynaphthalene-2,7-disulphonate]
cas: 68959-10-4
dtxsid: DTXSID9071923
formula: C17H13ClN2O10S3
inchikey: XNQTVNKHGQNOQM-UHFFFAOYSA-H
norman_susdat_id: NS00062107
pubchem_cid: 111946
inchi:
InChI=1/2C17H13ClN2O10S3.3Ba/c2*1-8-4-14(32(25,26)27)13(7-12(8)18)19-20-16-11-3-2-10(31(22,23)24)5-9(11)6-15(17(16)21)33(28,29)30;;;/h2*2-7,21H,1H3,(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;;3*+2/p-6

smiles:
[Ba+2].[Ba+2].[Ba+2].O=S(=O)([O-])C1=CC=C2C(=C1)C=C(C(O)=C2N=NC3=CC(Cl)=C(C=C3S(=O)(=O)[O-])C)S(=O)(=O)[O-].O=S(=O)([O-])C1=CC=C2C(=C1)C=C(C(O)=C2N=NC3=CC(Cl)=C(C=C3S(=O)(=O)[O-])C)S(=O)(=O)[O-]


name: 2-Naphthalenesulfonic acid, 7-hydroxy-8-[(4-nitrophenyl)azo]-
cas: 68959-12-6
chemspiderid: 7851023
dtxsid: DTXSID9071925
formula: C16H11N3O6S1
inchikey: RJQPSYFFJOLUPJ-UHFFFAOYSA-N
norman_susdat_id: NS00036780
pubchem_cid: NA
smiles: OS(=O)(=O)c1cc2c(C=CC(=O)/C/2=NNc2ccc(cc2)[N+](=O)[O-])cc1
inchi:
InChI=1S/C16H11N3O6S/c20-15-8-2-10-1-7-13(26(23,24)25)9-14(10)16(15)18-17-11-3-5-12(6-4-11)19(21)22/h1-9,17H,(H,23,24,25)/b18-16-


name: Sodium 3-[[5-hydroxy-2-[(4-hydroxyphenyl)sulphonyl]phenyl]methyl]naphthalene-2-sulphonate
cas: 68959-14-8
formula: C23H18O7S2.Na
inchikey: HOEKVZNWDQWFTE-UHFFFAOYSA-M
norman_susdat_id: NS00090992
smiles: [Na+].Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2Cc3cc4ccccc4cc3S(=O)(=O)[O-]
inchi:
InChI=1/C23H18O7S2.Na/c24-19-5-8-21(9-6-19)31(26,27)22-10-7-20(25)13-18(22)12-17-11-15-3-1-2-4-16(15)14-23(17)32(28,29)30;/h1-11,13-14,24-25H,12H2,(H,28,29,30);/q;+1/p-1


name: Citric acid, sodium titanium salt
cas: 68959-15-9
formula: C6H8O7.xNa.xTi
inchikey: SDDXLPCMFAURJG-UHFFFAOYSA-K
norman_susdat_id: NS00091094
smiles: [Na+].[Ti+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.Na.Ti/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);;/q;+1;+2/p-3


cas: 68959-16-0
dtxsid: DTXSID30887624
formula: C19H24Cl2N4O5S2
inchikey: KCSWTFXKCIOTGC-UHFFFAOYSA-M
norman_susdat_id: NS00063389
pubchem_cid: 166067
smiles: [Na+].O=S(=O)([O-])CCNS(=O)(=O)C=1C=C(Cl)C(N=NC2=CC=C(C=C2C)N(CC)CC)=CC1Cl
name:
Sodium 2-[[[2,5-dichloro-4-[[4-(diethylamino)-2-methylphenyl]azo]phenyl]sulphonyl]amino]ethanesulphonate

inchi:
InChI=1/C19H24Cl2N4O5S2.Na/c1-4-25(5-2)14-6-7-17(13(3)10-14)23-24-18-11-16(21)19(12-15(18)20)32(29,30)22-8-9-31(26,27)28;/h6-7,10-12,22H,4-5,8-9H2,1-3H3,(H,26,27,28);/q;+1/p-1


cas: 68959-17-1
formula: C21H14ClF2N5O8S2.2Na
inchikey: HJORILXJGREZJU-UHFFFAOYSA-L
norman_susdat_id: NS00091640
smiles: [Na+].[Na+].Clc4c(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(F)nc4F
name:
Disodium 7-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C21H14ClF2N5O8S2.2Na/c1-37-11-3-5-13(14(8-11)38(31,32)33)28-29-17-15(39(34,35)36)7-9-6-10(2-4-12(9)18(17)30)25-20-16(22)19(23)26-21(24)27-20;;/h2-8,30H,1H3,(H,25,26,27)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2


name: Sodium 2-[[[2,5-dichloro-4-[(2-methyl-1H-indol-3-yl)azo]phenyl]sulphonyl]amino]ethanesulphonate
cas: 68959-19-3
formula: C17H16Cl2N4O5S2.Na
inchikey: DFHVDLZDWDDGFQ-UHFFFAOYSA-M
norman_susdat_id: NS00091095
smiles: [Na+].[O-]S(=O)(=O)CCNS(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc2c3ccccc3nc2C
inchi:
InChI=1/C17H16Cl2N4O5S2.Na/c1-10-17(11-4-2-3-5-14(11)21-10)23-22-15-8-13(19)16(9-12(15)18)30(27,28)20-6-7-29(24,25)26;/h2-5,8-9,20-21H,6-7H2,1H3,(H,24,25,26);/q;+1/p-1


name: Didecylmethyl[3-(trimethoxysilyl)propyl]ammonium chloride
cas: 68959-20-6
dtxsid: DTXSID5035589
formula: C27H60NO3Si
inchikey: AXPYABZPAWSUMG-UHFFFAOYSA-M
norman_susdat_id: NS00062161
pubchem_cid: 62253
smiles: [Cl-].O(C)[Si](OC)(OC)CCC[N+](C)(CCCCCCCCCC)CCCCCCCCCC
inchi:
InChI=1/C27H60NO3Si.ClH/c1-7-9-11-13-15-17-19-21-24-28(3,25-22-20-18-16-14-12-10-8-2)26-23-27-32(29-4,30-5)31-6;/h7-27H2,1-6H3;1H/q+1;/p-1


name: 1-(1-phenylethyl)-3-[3-(triethoxysilyl)propyl]urea
cas: 68959-21-7
dtxsid: DTXSID50887626
formula: C18H32N2O4Si
inchikey: HTHSRWGCXUDZTR-UHFFFAOYSA-N
norman_susdat_id: NS00061841
pubchem_cid: 111951
smiles: O=C(NCCC[Si](OCC)(OCC)OCC)NC(C=1C=CC=CC1)C
inchi:
InChI=1/C18H32N2O4Si/c1-5-22-25(23-6-2,24-7-3)15-11-14-19-18(21)20-16(4)17-12-9-8-10-13-17/h8-10,12-13,16H,5-7,11,14-15H2,1-4H3,(H2,19,20,21)


name: 1H-Benzimidazolium, 1,2-dimethyl-3-[(4-sulfophenyl)methyl]-5-(trifluoromethyl)-, inner salt
cas: 68959-22-8
chemspiderid: 98540
dtxsid: DTXSID4071926
formula: C17H16F3N2O3S1
inchikey: KGIXTUWNRFHNHG-UHFFFAOYSA-N
norman_susdat_id: NS00036781
pubchem_cid: 111952
smiles: Cc1[n+](C)c2ccc(cc2n1Cc1ccc(cc1)S(=O)(=O)[O-])C(F)(F)F
inchi:
InChI=1S/C17H15F3N2O3S/c1-11-21(2)15-8-5-13(17(18,19)20)9-16(15)22(11)10-12-3-6-14(7-4-12)26(23,24)25/h3-9H,10H2,1-2H3/p+1


name: (2-hydroxyethyl)[2-(stearoyloxy)ethyl]ammonium acetate
cas: 68959-26-2
formula: C22H45NO3.C2H4O2
inchikey: VURMITXDJWYSTB-UHFFFAOYSA-N
norman_susdat_id: NS00091641
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC[NH2+]CCO.CC(=O)[O-]
inchi:
InChI=1/C22H45NO3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-19-23-18-20-24;1-2(3)4/h23-24H,2-21H2,1H3;1H3,(H,3,4)


name: 1,3,6,8-Tetrazecine-2,7-dione, octahydro-1,3-bis(2-hydroxyethyl)-6,8-bis(1-oxooctadecyl)-
cas: 68959-31-9
chemspiderid: 100383
dtxsid: DTXSID4071928
formula: C46H88N4O6
inchikey: GWDOXPUQJKXPGI-UHFFFAOYSA-N
norman_susdat_id: NS00036783
pubchem_cid: 111958
smiles: CCCCCCCCCCCCCCCCCC(=O)N1CCN(CCO)C(=O)N(CCO)CCN(C(=O)CCCCCCCCCCCCCCCCC)C1=O
inchi:
InChI=1S/C46H88N4O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(53)49-37-35-47(39-41-51)45(55)48(40-42-52)36-38-50(46(49)56)44(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h51-52H,3-42H2,1-2H3


name: 2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-
cas: 68959-32-0
chemspiderid: 7851024
dtxsid: DTXSID9071929
formula: C18H13N3O5
inchikey: XGIFPIXDLFQMOU-UHFFFAOYSA-N
norman_susdat_id: NS00036784
pubchem_cid: NA
smiles: Cc1c(N/N=C/2C(=O)C(=Cc3ccccc23)C(=O)O)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C18H13N3O5/c1-10-6-7-12(21(25)26)9-15(10)19-20-16-13-5-3-2-4-11(13)8-14(17(16)22)18(23)24/h2-9,19H,1H3,(H,23,24)/b20-16-


name: N,N'-[[(1-methylethyl)imino]bis[(2-hydroxy-3,1-propanediyl)oxy-4,1-phenylene]]bisacetamide
cas: 68959-60-4
dtxsid: DTXSID10988704
formula: C25H35N3O6
inchikey: BKDUXUMVSFIBOI-UHFFFAOYSA-N
norman_susdat_id: NS00061843
pubchem_cid: 12459272
smiles: O=C(NC1=CC=C(OCC(O)CN(CC(O)COC2=CC=C(C=C2)NC(=O)C)C(C)C)C=C1)C
inchi:
InChI=1/C25H35N3O6/c1-17(2)28(13-22(31)15-33-24-9-5-20(6-10-24)26-18(3)29)14-23(32)16-34-25-11-7-21(8-12-25)27-19(4)30/h5-12,17,22-23,31-32H,13-16H2,1-4H3,(H,26,29)(H,27,30)


name: 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-N-phenylaniline monohydrochloride
cas: 68966-31-4
dtxsid: DTXSID3071937
formula: C25H21N3
inchikey: NUCNXESKEGPERK-UHFFFAOYSA-N
norman_susdat_id: NS00062341
pubchem_cid: NA
smiles: Cl.N=C1C=CC(C=C1)=C(C2=CC=C(N)C=C2)C3=CC=C(C=C3)NC=4C=CC=CC4
inchi:
InChI=1/C25H21N3.ClH/c26-21-12-6-18(7-13-21)25(19-8-14-22(27)15-9-19)20-10-16-24(17-11-20)28-23-4-2-1-3-5-23;/h1-17,26,28H,27H2;1H


name: Benzenemethanol, 4-amino-.alpha.,.alpha.-bis[4-(phenylamino)phenyl]-
cas: 68966-33-6
chemspiderid: 98182
dtxsid: DTXSID8071938
formula: C31H27N3O1
inchikey: QRFCCCIWAVNXSF-UHFFFAOYSA-N
norman_susdat_id: NS00036786
pubchem_cid: 111970
smiles: Nc1ccc(cc1)C(O)(c1ccc(Nc2ccccc2)cc1)c1ccc(Nc2ccccc2)cc1
inchi:
InChI=1S/C31H27N3O/c32-26-17-11-23(12-18-26)31(35,24-13-19-29(20-14-24)33-27-7-3-1-4-8-27)25-15-21-30(22-16-25)34-28-9-5-2-6-10-28/h1-22,33-35H,32H2


name: [[4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]amino]benzenesulphonic acid
cas: 68966-37-0
dtxsid: DTXSID90988707
formula: C25H21N3O3S
inchikey: ZOYBVMFJRFTUMU-UHFFFAOYSA-N
norman_susdat_id: NS00062163
pubchem_cid: NA
smiles: O=S(=O)(O)C=1C=CC=CC1NC2=CC=C(C=C2)C(=C3C=CC(=N)C=C3)C4=CC=C(N)C=C4
inchi:
InChI=1/C25H21N3O3S/c26-20-11-5-17(6-12-20)25(18-7-13-21(27)14-8-18)19-9-15-22(16-10-19)28-23-3-1-2-4-24(23)32(29,30)31/h1-16,26,28H,27H2,(H,29,30,31)


name: 1H-Imidazole-1-ethanol, 4,5-dihydro-2-isoheptadecyl-
cas: 68966-38-1
chemspiderid: 100397
dtxsid: DTXSID2071940
formula: C22H44N2O1
inchikey: AVPHZAHGVBYDBS-UHFFFAOYSA-N
norman_susdat_id: NS00013799
pubchem_cid: 111973
smiles: CC(C)CCCCCCCCCCCCCCC1=NCCN1CCO
inchi:
InChI=1S/C22H44N2O/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-23-17-18-24(22)19-20-25/h21,25H,3-20H2,1-2H3


name: 2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl dioleate
cas: 68966-40-5
formula: C77H144O8
inchikey: JWIGOZQHOZXYPI-ZHTVLWRQSA-N
norman_susdat_id: NS00062342
pubchem_cid: 20839555
inchi:
InChI=1/C77H144O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h33-34,37-38H,5-32,35-36,39-72H2,1-4H3

smiles:
O=C(OCC(COC(=O)CCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC


name: Benzyl phenylundecanoate
cas: 68966-77-8
formula: C24H32O2
inchikey: RJDYBAUOAOFGOA-UHFFFAOYSA-N
norman_susdat_id: NS00062187
pubchem_cid: 21118548
smiles: O=C(OCC=1C=CC=CC1)C(C=2C=CC=CC2)CCCCCCCCC
inchi:
InChI=1/C24H32O2/c1-2-3-4-5-6-7-14-19-23(22-17-12-9-13-18-22)24(25)26-20-21-15-10-8-11-16-21/h8-13,15-18,23H,2-7,14,19-20H2,1H3


cas: 68966-85-8
dtxsid: DTXSID50890019
formula: C28H24N4O11S4
inchikey: KUEADJMKJSAMSJ-UHFFFAOYSA-K
norman_susdat_id: NS00062441
pubchem_cid: 172333
name:
Trisodium 2-[4-[[2-hydroxy-1-[[(4-sulphonato-1-naphthyl)amino]carbonyl]propyl]azo]sulphonatophenyl]-6-methylbenzothiazole-7-sulphonate

inchi:
InChI=1/C28H24N4O11S4.3Na/c1-14-7-10-21-25(26(14)47(41,42)43)44-28(30-21)19-9-8-16(13-23(19)46(38,39)40)31-32-24(15(2)33)27(34)29-20-11-12-22(45(35,36)37)18-6-4-3-5-17(18)20;;;/h3-13,15,24,33H,1-2H3,(H,29,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(C=2C=CC=CC12)S(=O)(=O)[O-])C(N=NC3=CC=C(C4=NC=5C=CC(=C(C5S4)S(=O)(=O)[O-])C)C(=C3)S(=O)(=O)[O-])C(O)C


name: [7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetryl] tetrasulphate
cas: 6897-40-1
formula: C28H16Cl2N2O16S4
inchikey: HKPIBNMOFBOZQN-UHFFFAOYSA-K
norman_susdat_id: NS00081391
inchi:
InChI=1/C28H16Cl2N2O16S4/c29-17-9-15-19(27(47-51(39,40)41)13-7-3-1-5-11(13)25(15)45-49(33,34)35)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(46-50(36,37)38)12-6-2-4-8-14(12)28(20)48-52(42,43)44/h1-10,31-32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)/p-3

smiles:
OS(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c3c4Nc5c(Cl)cc6c(OS(=O)(=O)[O-])c7ccccc7c(OS(=O)(=O)[O-])c6c5Nc4c(Cl)cc13


cas: 68971-49-3
inchikey: ZECOZQHKQDLCBT-UHFFFAOYSA-H
norman_susdat_id: NS00078418
name:
hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulphonate)

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OCCN(CCO)c1nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5cc(ccc5S([O-])(=O)=O)S([O-])(=O)=O)nc(n4)N(CCO)CCO)cc3S([O-])(=O)=O)c(c2)S([O-])(=O)=O)nc(Nc2cc(ccc2S([O-])(=O)=O)S([O-])(=O)=O)n1


name: Magnesium thiobis(tetrapropenylphenolate)
cas: 68974-78-7
dtxsid: DTXSID7028938
formula: C36H42O2S
inchikey: HDGPYJDXJPCDAI-UHFFFAOYSA-L
norman_susdat_id: NS00062442
pubchem_cid: 71439887
smiles: [Mg+2].[O-]C=1C(SC=2C([O-])=C(C=CC)C(C=CC)=C(C=CC)C2C=CC)=C(C=CC)C(C=CC)=C(C=CC)C1C=CC
inchi:
InChI=1/C36H42O2S.Mg/c1-9-17-25-27(19-11-3)31(23-15-7)35(33(37)29(25)21-13-5)39-36-32(24-16-8)28(20-12-4)26(18-10-2)30(22-14-6)34(36)38;/h9-24,37-38H,1-8H3;/q;+2/p-2


name: Tridecane, 1,1'-[methylenebis(oxy)]bis-
cas: 68975-76-8
chemspiderid: 100593
dtxsid: DTXSID7071949
formula: C27H56O2
inchikey: HUORXJRUKHMTDN-UHFFFAOYSA-N
norman_susdat_id: NS00036791
pubchem_cid: 112217
smiles: CCCCCCCCCCCCCOCOCCCCCCCCCCCCC
inchi:
InChI=1S/C27H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-27-29-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3


cas: 68975-78-0
dtxsid: DTXSID60887637
formula: C22H38N6O2
inchikey: AERVMEVXZLZSML-UHFFFAOYSA-N
norman_susdat_id: NS00062621
pubchem_cid: 112126
smiles: O=C(NCC1(C)CC(NC(=O)N2C(=NC(C)C2)C)CC(C)(C)C1)N3C(=NC(C)C3)C
name:
N-[3-[[[(4,5-dihydro-2,4-dimethyl-1H-imidazol-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-4,5-dihydro-2,4-dimethyl-1H-imidazole-1-carboxamide

inchi:
InChI=1/C22H38N6O2/c1-14-10-27(16(3)24-14)19(29)23-13-22(7)9-18(8-21(5,6)12-22)26-20(30)28-11-15(2)25-17(28)4/h14-15,18H,8-13H2,1-7H3,(H,23,29)(H,26,30)


name: Dioctyl 2,2,4-trimethyladipate
cas: 68975-81-5
dtxsid: DTXSID20887638
formula: C25H48O4
inchikey: PWGKFKFFANDJNJ-UHFFFAOYSA-N
norman_susdat_id: NS00062144
pubchem_cid: 112129
smiles: O=C(OCCCCCCCC)CC(C)CC(C(=O)OCCCCCCCC)(C)C
inchi:
InChI=1/C25H48O4/c1-6-8-10-12-14-16-18-28-23(26)20-22(3)21-25(4,5)24(27)29-19-17-15-13-11-9-7-2/h22H,6-21H2,1-5H3


cas: 68975-83-7
dtxsid: DTXSID80887639
formula: C54H87N9O9
inchikey: XAUGVXXNNOTSRJ-UHFFFAOYSA-N
norman_susdat_id: NS00062658
pubchem_cid: 112130
name:
N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethylcyclohexane-3,1-diyl)]]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide]

inchi:
InChI=1/C54H87N9O9/c1-49(2)25-37(55-43(67)58-22-16-10-13-19-40(58)64)28-52(7,31-49)34-61-46(70)62(35-53(8)29-38(26-50(3,4)32-53)56-44(68)59-23-17-11-14-20-41(59)65)48(72)63(47(61)71)36-54(9)30-39(27-51(5,6)33-54)57-45(69)60-24-18-12-15-21-42(60)66/h37-39H,10-36H2,1-9H3,(H,55,67)(H,56,68)(H,57,69)

smiles:
O=C(NC1CC(C)(C)CC(C)(CN2C(=O)N(C(=O)N(C2=O)CC3(C)CC(NC(=O)N4C(=O)CCCCC4)CC(C)(C)C3)CC5(C)CC(NC(=O)N6C(=O)CCCCC6)CC(C)(C)C5)C1)N7C(=O)CCCCC7


name: Oxydiethylene bis[[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate]
cas: 68975-84-8
dtxsid: DTXSID80988736
formula: C12H20N2O3
inchikey: IGXVMLOYWZAZCV-UHFFFAOYSA-L
norman_susdat_id: NS00062191
pubchem_cid: 19763971
smiles: O=C=NC1CC(C)(C)CC(C)(CNC(=O)[O-])C1.O=C=NC1CC(C)(C)CC(C)(CNC(=O)[O-])C1.O(C=C)C=C
inchi:
InChI=1/2C12H20N2O3.C4H6O/c2*1-11(2)4-9(14-8-15)5-12(3,6-11)7-13-10(16)17;1-3-5-4-2/h2*9,13H,4-7H2,1-3H3,(H,16,17);3-4H,1-2H2/p-2


cas: 68978-46-1
dtxsid: DTXSID60988739
formula: C49H58N8O7S2
inchikey: DRCNWDNZGJQRLE-UHFFFAOYSA-N
norman_susdat_id: NS00062192
pubchem_cid: 3017899
name:
2-[4-[[[4-[2,5-dihydro-2-oxo-5-[(1-phenyl-1H-tetrazol-5-yl)thio]-4-oxazolyl]phenoxy]acetyl]amino]phenyl]-1-octadecyl-1H-benzimidazole-5-sulphonic acid

inchi:
InChI=1/C49H58N8O7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33-56-43-32-31-41(66(60,61)62)34-42(43)51-46(56)37-23-27-38(28-24-37)50-44(58)35-63-40-29-25-36(26-30-40)45-47(64-49(59)52-45)65-48-53-54-55-57(48)39-21-18-17-19-22-39/h17-19,21-32,34,47H,2-16,20,33,35H2,1H3,(H,50,58)(H,60,61,62)

smiles:
O=C1N=C(C=2C=CC(OCC(=O)NC=3C=CC(=CC3)C4=NC5=CC(=CC=C5N4CCCCCCCCCCCCCCCCCC)S(=O)(=O)O)=CC2)C(O1)SC6=NN=NN6C=7C=CC=CC7


name: N-(3-carboxypropionyl)glycylglycyl-N-(p-nitrophenyl)-3-phenyl-L-alaninamide
cas: 68982-90-1
dtxsid: DTXSID30988741
formula: C23H26N5O8
inchikey: CFYIUBWVKZQDOG-SFHVURJKSA-N
norman_susdat_id: NS00063667
pubchem_cid: 40520303
smiles: O=C(O)CCC(=O)NCC(=O)NCC(=O)NC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])CC=2C=CC=CC2
inchi:
InChI=1/C23H25N5O8/c29-19(10-11-22(32)33)24-13-20(30)25-14-21(31)27-18(12-15-4-2-1-3-5-15)23(34)26-16-6-8-17(9-7-16)28(35)36/h1-9,18H,10-14H2,(H,24,29)(H,25,30)(H,26,34)(H,27,31)(H,32,33)


name: Diphenyldodecane
cas: 68986-77-6
formula: C24H34
inchikey: MPUACKZXJBPMHK-UHFFFAOYSA-N
norman_susdat_id: NS00062193
pubchem_cid: 112219
smiles: C=1C=CC(=CC1)C(C=2C=CC=CC2)CCCCCCCCCCC
inchi:
InChI=1/C24H34/c1-2-3-4-5-6-7-8-9-16-21-24(22-17-12-10-13-18-22)23-19-14-11-15-20-23/h10-15,17-20,24H,2-9,16,21H2,1H3


name: 1-Octadecanol, phosphate, potassium salt
cas: 68987-29-1
formula: -
inchikey: NAQRNJLIUJLETI-UHFFFAOYSA-L
norman_susdat_id: NS00091009
smiles: [K+].CCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C18H39O4P.K/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);/q;+1/p-2


cas: 68988-25-0
dtxsid: DTXSID70882714
norman_susdat_id: NS00111321
name:
1,4-Butanediol, 2,3-bis(.gamma.-.omega.-perfluoro-C4-18-alkyl) derivs., polymers with 1,6-diisocyanato-2,2,4(or 2,4,4)-trimethylhexane and polyethylene-polypropylene glycol bis(2-aminomethylethyl) ether


cas: 68988-52-3
dtxsid: DTXSID50882853
norman_susdat_id: NS00110650
name:
2-Propenoic acid, 2-methyl-, C4-8-alkyl esters, polymer with 2-[methyl[(.gamma.-.omega.-perfluoro-C8-14-alkyl)sulfonyl]amino]ethyl 2-methyl-2-propenoate


cas: 68988-53-4
dtxsid: DTXSID60882900
norman_susdat_id: NS00110989
name:
2-Propenoic acid, 2-methyl-, C4-18-alkyl esters, polymers with 2-[methyl[(.gamma.-.omega.-perfluoro-C8-14-alkyl)sulfonyl]amino]ethyl acrylate


cas: 68988-54-5
dtxsid: DTXSID10882854
norman_susdat_id: NS00109272
name:
2-Propenoic acid, 2-methyl-, C7-8-alkyl esters, polymer with 2-[methyl[(.gamma.-.omega.-perfluoro-C8-14-alkyl)sulfonyl]amino]ethyl 2-methyl-2-propenoate


cas: 68988-55-6
dtxsid: DTXSID60882849
norman_susdat_id: NS00110984
name:
2-Propenoic acid, 2-methyl-, C7-18-alkyl esters, polymer with 2-[methyl[(.gamma.-.omega.-perfluoro-C8-14-alkyl)sulfonyl]amino]ethyl 2-methyl-2-propenoate


cas: 68988-89-6
dtxsid: DTXSID70894574
norman_susdat_id: NS00113177
name:
AMORPHOUS SILICA, REACTION PRODUCT WITH 1,1,1,3,3,3-HEXAMETHYLDISILAZANE AND 1,3-DIVINYL-1,1,3,3-TETRAMETHYLDISILAZANE


cas: 68989-01-5
dtxsid: DTXSID1048041
norman_susdat_id: NS00094864
name:
Quaternary ammonium compounds, benzyl-C12-18-alkyldimethyl salts, with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)


name: ethyl 3-[3-chloro-4-[4-[cyclohexyl(methyl)carbamoyl]anilino]-2,5-dioxopyrrol-1-yl]benzoate
cas: 6899-87-2
dtxsid: DTXSID20364797
formula: C27H28ClN3O5
inchikey: LSCMWEBEHJCDME-UHFFFAOYSA-N
norman_susdat_id: NS00094658
smiles: CCOC(=O)C1=CC(=CC=C1)N1C(=O)C(Cl)=C(NC2=CC=C(C=C2)C(=O)N(C)C2CCCCC2)C1=O
inchi:
InChI=1S/C27H28ClN3O5/c1-3-36-27(35)18-8-7-11-21(16-18)31-25(33)22(28)23(26(31)34)29-19-14-12-17(13-15-19)24(32)30(2)20-9-5-4-6-10-20/h7-8,11-16,20,29H,3-6,9-10H2,1-2H3


cas: 68990-40-9
dtxsid: DTXSID60882708
norman_susdat_id: NS00110972
name:
Fatty acids, C18-unsatd., dimers, diisocyanates, polymers with 2,3-bis(.gamma.-.omega.-perfluoro-C4-18-alkyl)-1,4-butanediol,1,6-diisocyanato-2,2,4(or 2,4,4)-trimethylhexane and 2,2-(methylimino)bisethanol


name: Glycerides, C14-22 mono-, acetates
cas: 68990-54-5
dtxsid: DTXSID0028957
formula: C23H46O4
inchikey: HUQABGDIJUXLRG-UHFFFAOYSA-N
norman_susdat_id: NS00063602
pubchem_cid: 13341681
smiles: O=C(OC(CO)COCCCCCCCCCCCCCCCCCC)C
inchi:
InChI=1/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-21-23(20-24)27-22(2)25/h23-24H,3-21H2,1-2H3


cas: 68991-93-5
formula: C28H31O7P.2C4H11NO2
inchikey: GDHFONOAOFSWQN-UHFFFAOYSA-N
norman_susdat_id: NS00090958
smiles: CC(C)c1cc(c(C)cc1O)C2(OC(=O)c3ccccc23)c4cc(C(C)C)c(OP(=O)(O)O)cc4C.CC(N)(CO)CO.CC(N)(CO)CO
name:
4-[3-[4-hydroxy-5-isopropyl-o-tolyl]-1-oxo-3H-isobenzofuran-3-yl]-6-isopropyl-m-tolyl dihydrogen phosphate, compound with 2-amino-2-methylpropane-1,3-diol (1:2)

inchi:
InChI=1/C28H31O7P.2C4H11NO2/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(30)34-28)24-14-21(16(3)4)26(12-18(24)6)35-36(31,32)33;2*1-4(5,2-6)3-7/h7-16,29H,1-6H3,(H2,31,32,33);2*6-7H,2-3,5H2,1H3


cas: 68991-94-6
formula: C28H31O7P
inchikey: JDQICTSGSCVPKN-UHFFFAOYSA-L
norman_susdat_id: NS00062385
pubchem_cid: NA
smiles: [Mg+2].O=C1OC(C=2C=CC=CC12)(C3=CC(=C(OP(=O)([O-])[O-])C=C3C)C(C)C)C=4C(=CC(O)=CC4C(C)C)C
name:
Magnesium 4-[3-[4-hydroxy-6-isopropyl-o-tolyl]-1-oxo-3H-isobenzofuran-3-yl]-6-isopropyl-m-tolyl phosphate

inchi:
InChI=1/C28H31O7P.Mg/c1-15(2)21-14-24(17(5)12-25(21)35-36(31,32)33)28(23-10-8-7-9-20(23)27(30)34-28)26-18(6)11-19(29)13-22(26)16(3)4;/h7-16,29H,1-6H3,(H2,31,32,33);/q;+2/p-2


cas: 68991-98-0
formula: C50H44Cl2N18O24S6.6Na
inchikey: CIMREIWUKKSZFD-UHFFFAOYSA-H
norman_susdat_id: NS00093455
name:
1,3-Benzenedisulfonic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[6-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-, hexasodium salt

inchi:
InChI=1/C50H44Cl2N18O24S6.6Na/c1-5-69-41(73)35(39(53)71)19(3)37(43(69)75)67-65-27-15-25(31(97(83,84)85)17-33(27)99(89,90)91)57-49-61-45(51)59-47(63-49)55-23-11-9-21(29(13-23)95(77,78)79)7-8-22-10-12-24(14-30(22)96(80,81)82)56-48-60-46(52)62-50(64-48)58-26-16-28(34(100(92,93)94)18-32(26)98(86,87)88)66-68-38-20(4)36(40(54)72)42(74)70(6-2)44(38)76;;;;;;/h7-18,75-76H,5-6H2,1-4H3,(H2,53,71)(H2,54,72)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H2,55,57,59,61,63)(H2,56,58,60,62,64);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].C\C8=C(/C(=O)N)C(=O)N(CC)C(\O)=C8\N=Nc7cc(Nc1nc(nc(Cl)n1)Nc6ccc(C=Cc2ccc(cc2S([O-])(=O)=O)Nc3nc(nc(Cl)n3)Nc5cc(N=N/C4=C(\O)N(CC)C(=O)/C(=C4/C)C(N)=O)c(cc5S([O-])(=O)=O)S([O-])(=O)=O)c(c6)S([O-])(=O)=O)c(cc7S([O-])(=O)=O)S([O-])(=O)=O


cas: 68991-99-1
formula: C34H24Cl2N12O16S5
inchikey: YRHAQMOYSPBQTN-UHFFFAOYSA-I
norman_susdat_id: NS00063628
pubchem_cid: NA
name:
2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, pentasodium salt

inchi:
InChI=1/C34H24Cl2N12O16S5.5Na/c35-29-41-31(37-16-4-3-5-18(12-16)65(50,51)52)45-32(42-29)38-17-8-9-20(24(13-17)68(59,60)61)39-33-43-30(36)44-34(46-33)40-22-14-19(66(53,54)55)10-15-11-25(69(62,63)64)27(28(49)26(15)22)48-47-21-6-1-2-7-23(21)67(56,57)58;;;;;/h1-14,49H,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,37,38,41,42,45)(H2,39,40,43,44,46);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1)NC2=NC(Cl)=NC(=N2)NC3=CC=C(NC4=NC(Cl)=NC(=N4)NC5=CC(=CC6=CC(=C(N=NC=7C=CC=CC7S(=O)(=O)[O-])C(O)=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-]


cas: 68992-00-7
chemspiderid: 21167948
dtxsid: DTXSID1071951
formula: C24H28N6O10
inchikey: DQHAOOGYAZZHJJ-UHFFFAOYSA-N
norman_susdat_id: NS00036794
pubchem_cid: 112227
smiles: CCC(=O)Nc1c(cc(OC)c(c1)N(CCC(=O)OC)CCC(=O)OC)N=Nc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]
name:
.beta.-Alanine, N-[4-[(2,4-dinitrophenyl)azo]-2-methoxy-5-[(1-oxopropyl)amino]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester

inchi:
InChI=1S/C24H28N6O10/c1-5-22(31)25-17-13-20(28(10-8-23(32)39-3)11-9-24(33)40-4)21(38-2)14-18(17)27-26-16-7-6-15(29(34)35)12-19(16)30(36)37/h6-7,12-14H,5,8-11H2,1-4H3,(H,25,31)


cas: 68992-01-8
dtxsid: DTXSID10887642
formula: C22H28N5O5
inchikey: KXPPHRLDOIPZDT-UHFFFAOYSA-N
norman_susdat_id: NS00062090
pubchem_cid: NA
smiles: N#CC=1C(=O)N(C(O)=C(N=NC2=CC=C(OC)C=C2[N+](=O)[O-])C1C)CC(CC)CCCC
name:
1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-5-[(4-methoxy-2-nitrophenyl)azo]-4-methyl-2-oxonicotinonitrile

inchi:
InChI=1/C22H27N5O5/c1-5-7-8-15(6-2)13-26-21(28)17(12-23)14(3)20(22(26)29)25-24-18-10-9-16(32-4)11-19(18)27(30)31/h9-11,15,29H,5-8,13H2,1-4H3


cas: 68992-02-9
dtxsid: DTXSID80890022
formula: C33H22ClN9O12S4
inchikey: ZZMATQLWXCUYFJ-UHFFFAOYSA-J
norman_susdat_id: NS00062586
pubchem_cid: NA
name:
Tetrasodium 3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulphonato-1-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C33H22ClN9O12S4.4Na/c34-31-37-32(35)39-33(38-31)36-26-12-11-24(20-4-2-6-28(30(20)26)58(50,51)52)43-42-23-9-10-25(21-15-17(56(44,45)46)7-8-18(21)23)41-40-16-13-22-19(29(14-16)59(53,54)55)3-1-5-27(22)57(47,48)49;;;;/h1-15H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,35,36,37,38,39);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC=3C=CC(NC=4N=C(Cl)N=C(N4)N)=C5C3C=CC=C5S(=O)(=O)[O-])=CC=C(N=NC=6C=C7C(C=CC=C7S(=O)(=O)[O-])=C(C6)S(=O)(=O)[O-])C2C1


cas: 68992-03-0
formula: C29H19Cl2N9O16S5.5Na
inchikey: JPYJAZWZTPTROX-UHFFFAOYSA-I
norman_susdat_id: NS00091120
name:
Pentasodium 2-[[1-amino-7-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-8-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C29H19Cl2N9O16S5.5Na/c30-27-34-28(31)36-29(35-27)33-12-4-7-18(58(45,46)47)16(10-12)38-40-24-20(60(51,52)53)9-11-8-19(59(48,49)50)23(22(32)21(11)25(24)41)39-37-15-6-5-13-14(26(15)61(54,55)56)2-1-3-17(13)57(42,43)44;;;;;/h1-10,41H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,33,34,35,36);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].Clc6nc(Nc5ccc(c(N=Nc4c(cc3cc(c(N=Nc2ccc1c(cccc1c2S([O-])(=O)=O)S([O-])(=O)=O)c(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c5)S([O-])(=O)=O)nc(Cl)n6


cas: 68992-04-1
formula: C27H25N6O12PS2.2Na
inchikey: SUBLOPDCYPEQCZ-UHFFFAOYSA-L
norman_susdat_id: NS00091743
name:
Disodium 2-[[5-carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulphonatophenyl)ethyl]-3-pyridyl]azo]-5-[(3-phosphonophenyl)azo]benzenesulphonate

inchi:
InChI=1/C27H25N6O12PS2.2Na/c1-15-23(25(28)34)26(35)33(12-11-16-5-8-20(9-6-16)47(40,41)42)27(36)24(15)32-31-21-10-7-18(14-22(21)48(43,44)45)30-29-17-3-2-4-19(13-17)46(37,38)39;;/h2-10,13-14,36H,11-12H2,1H3,(H2,28,34)(H2,37,38,39)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2

smiles:
[Na+].[Na+].OP(O)(=O)c1cccc(c1)N=Nc4ccc(N=N/C3=C(\O)N(CCc2ccc(cc2)S([O-])(=O)=O)C(=O)/C(=C3/C)C(N)=O)c(c4)S([O-])(=O)=O


name: Dibutyl (2-hydroxyhexadecyl)phosphonate
cas: 68992-15-4
dtxsid: DTXSID60867797
formula: C24H51O4P
inchikey: WKAMPYICUVBLIA-UHFFFAOYSA-N
norman_susdat_id: NS00062110
pubchem_cid: 112137
smiles: O=P(OCCCC)(OCCCC)CC(O)CCCCCCCCCCCCCC
inchi:
InChI=1/C24H51O4P/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-24(25)23-29(26,27-21-8-5-2)28-22-9-6-3/h24-25H,4-23H2,1-3H3


name: Chlorpromazine hydrochloride
cas: 69-09-0
chebiid: CHEBI:3649
formula: C17H19ClN2S.ClH
inchikey: FBSMERQALIEGJT-UHFFFAOYSA-N
norman_susdat_id: NS00078900
smiles: Cl.CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13
inchi:
InChI=1/C17H19ClN2S.ClH/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;/h3-4,6-9,12H,5,10-11H2,1-2H3;1H


name: Fluphenazine
cas: 69-23-8
chebiid: CHEBI:5123
chemspiderid: 3255
dtxsid: DTXSID2023068
formula: C22H26F3N3O1S1
inchikey: PLDUPXSUYLZYBN-UHFFFAOYSA-N
norman_susdat_id: NS00005055
pubchem_cid: 3372
smiles: OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
inchi:
InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2


name: Tubercidin
cas: 69-33-0
chebiid: CHEBI:48267
chemspiderid: 6009
formula: C11H14N4O4
inchikey: HDZZVAMISRMYHH-KCGFPETGSA-N
norman_susdat_id: NS00011706
pubchem_cid: 6245
smiles: c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
inchi:
InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1


name: Amodiaquine hydrochloride
cas: 69-44-3
dtxsid: DTXSID20219036
formula: C20H24Cl3N3O
inchikey: ROEBJVHPINPMKL-UHFFFAOYSA-N
norman_susdat_id: NS00076218
smiles: Cl.Cl.CCN(CC)CC1=C(O)C=CC(NC2=C3C=CC(Cl)=CC3=NC=C2)=C1
inchi:
InChI=1S/C20H22ClN3O.2ClH/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*1H


cas: 69-52-3
formula: C16H19N3O4S.Na
inchikey: KLOHDWPABZXLGI-UHFFFAOYSA-M
norman_susdat_id: NS00078825
smiles: CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O[Na]
name:
Sodium [2S-[2a,5a,6ß(S*)]]-6-(aminophenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

inchi:
InChI=1/C16H19N3O4S.Na/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8;/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23);/q;+1/p-1


name: Ampicillin
cas: 69-53-4
chebiid: CHEBI:94334
chemspiderid: 2089
dtxsid: DTXSID4022602
formula: C16H19N3O4S1
inchikey: AVKUERGKIZMTKX-UHFFFAOYSA-N
norman_susdat_id: NS00000689
pubchem_cid: 5244176
smiles: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C
inchi:
InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)


cas: 69-57-8
formula: C16H18N2O4S.Na
inchikey: FCPVYOBCFFNJFS-UHFFFAOYSA-M
norman_susdat_id: NS00079052
smiles: CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O[Na]
name:
Sodium [2S-(2a,5a,6ß)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

inchi:
InChI=1/C16H18N2O4S.Na/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1


name: Cytarabine hydrochloride
cas: 69-74-9
dtxsid: DTXSID5024891
formula: C9H14ClN3O5
inchikey: KCURWTAZOZXKSJ-JBMRGDGGSA-N
norman_susdat_id: NS00076327
smiles: Cl.NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H/t4-,6-,7+,8-;/m1./s1


name: Benzoic acid, 3,3'-dithiobis[6-nitro-
cas: 69-78-3
chebiid: CHEBI:86228
chemspiderid: 6018
dtxsid: DTXSID5058779
formula: C14H8N2O8S2
inchikey: KIUMMUBSPKGMOY-UHFFFAOYSA-N
norman_susdat_id: NS00015323
pubchem_cid: 6254
smiles: C1=CC(=C(C=C1SSC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]
inchi:
InChI=1S/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)


name: Carbazochrome
cas: 69-81-8
chemspiderid: 4514501
dtxsid: DTXSID3048310
formula: C10H12N4O3
inchikey: XSXCZNVKFKNLPR-SDQBBNPISA-N
norman_susdat_id: NS00006510
pubchem_cid: 5360410
smiles: CN1CC(O)C2=CC(=NNC(N)=O)C(=O)C=C12
inchi:
InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)/b12-6-


name: Hypaconitine
cas: 6900-87-4
chebiid: CHEBI:5831
chemspiderid: 441737
formula: C33H45NO10
inchikey: FIDOCHXHMJHKRW-VHQVDBNASA-N
norman_susdat_id: NS00094337
pubchem_cid: 390339
smiles:
CC(=O)O[C@@]12[C@@H]3[C@@H](C[C@@]([C@@H]3OC(=O)C4=CC=CC=C4)([C@H]([C@@H]1O)OC)O)[C@]56[C@H](CC[C@@]7([C@H]5[C@H]([C@H]2C6N(C7)C)OC)COC)OC


name: Lyconnotine
cas: 6900-93-2
chebiid: CHEBI:6595
chemspiderid: 390918
dtxsid: DTXSID80331844
formula: C17H25NO3
inchikey: YHPKLMGYAYSJRU-UYPCIZBGSA-N
norman_susdat_id: NS00094819
pubchem_cid: 442487
smiles: COC(=O)C(C)C[C@@]12[C@@H]3CCCN1CC=CC2=CC[C@H]3O
inchi:
InChI=1S/C17H25NO3/c1-12(16(20)21-2)11-17-13-5-3-9-18(17)10-4-6-14(17)15(19)8-7-13/h3,5,7,12,14-15,19H,4,6,8-11H2,1-2H3/t12?,14-,15-,17-/m1/s1


name: Sodium 1,4-bis[2-[(1-oxooctadecyl)amino]ethyl] sulphonatosuccinate
cas: 69001-55-4
dtxsid: DTXSID70988765
formula: C44H84N2O9S
inchikey: UZRLUJCBJDEURR-UHFFFAOYSA-M
norman_susdat_id: NS00062112
pubchem_cid: 3017901
smiles: [Na+].O=C(OCCNC(=O)CCCCCCCCCCCCCCCCC)CC(C(=O)OCCNC(=O)CCCCCCCCCCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C44H84N2O9S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(47)45-35-37-54-43(49)39-40(56(51,52)53)44(50)55-38-36-46-42(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h40H,3-39H2,1-2H3,(H,45,47)(H,46,48)(H,51,52,53);/q;+1/p-1


name: 5-Hydroxydiclofenac
cas: 69002-84-2
chebiid: CHEBI:59612
chemspiderid: 2314362
dtxsid: DTXSID00219059
formula: C14H11Cl2N1O3
inchikey: VNQURRWYKFZKJZ-UHFFFAOYSA-N
norman_susdat_id: NS00009413
pubchem_cid: 3052566
smiles: OC(=O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl
inchi:
InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20)


name: 3'-Hydroxydiclofenac
cas: 69002-85-3
chebiid: CHEBI:223792
chemspiderid: 100604
formula: C14H11Cl2N1O3
inchikey: HYPJZSYXUWYJDG-UHFFFAOYSA-N
norman_susdat_id: NS00006556
pubchem_cid: 112230
smiles: OC(=O)Cc1ccccc1Nc1c(Cl)ccc(O)c1Cl
inchi:
InChI=1S/C14H11Cl2NO3/c15-9-5-6-11(18)13(16)14(9)17-10-4-2-1-3-8(10)7-12(19)20/h1-6,17-18H,7H2,(H,19,20)


name: 4',5-Dihydroxydiclofenac
cas: 69002-86-4
chebiid: CHEBI:223401
chemspiderid: 2314363
dtxsid: DTXSID70219061
formula: C14H11Cl2N1O4
inchikey: DRZFITWJHHNHAD-UHFFFAOYSA-N
norman_susdat_id: NS00002493
pubchem_cid: 3052567
smiles: OC(=O)Cc1cc(O)ccc1Nc1c(Cl)cc(O)cc1Cl
inchi:
InChI=1S/C14H11Cl2NO4/c15-10-5-9(19)6-11(16)14(10)17-12-2-1-8(18)3-7(12)4-13(20)21/h1-3,5-6,17-19H,4H2,(H,20,21)


name: Sodium N-(2-carboxyethyl)-N-(1-oxododecyl)-ß-alaninate
cas: 69003-47-0
formula: C18H33NO5.Na
inchikey: ATVSSLLGMPQIQW-UHFFFAOYSA-M
norman_susdat_id: NS00091216
smiles: [Na+].CCCCCCCCCCCC(=O)N(CCC(=O)O)CCC(=O)[O-]
inchi:
InChI=1/C18H33NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-16(20)19(14-12-17(21)22)15-13-18(23)24;/h2-15H2,1H3,(H,21,22)(H,23,24);/q;+1/p-1


name: Toltrazuril
cas: 69004-03-1
chebiid: CHEBI:93130
chemspiderid: 61859
dtxsid: DTXSID90219063
formula: C18H14F3N3O4S1
inchikey: OCINXEZVIIVXFU-UHFFFAOYSA-N
norman_susdat_id: NS00002614
pubchem_cid: 68591
smiles: Cc1cc(ccc1Oc1ccc(SC(F)(F)F)cc1)-n1c(=O)[nH]c(=O)n(C)c1=O
inchi:
InChI=1S/C18H14F3N3O4S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)28-12-4-6-13(7-5-12)29-18(19,20)21/h3-9H,1-2H3,(H,22,25,26)


name: Toltrazuril sulfone
cas: 69004-04-2
chemspiderid: 2312474
dtxsid: DTXSID7048958
formula: C18H14F3N3O6S1
inchikey: VBUNOIXRZNJNAD-UHFFFAOYSA-N
norman_susdat_id: NS00006108
pubchem_cid: 3050408
smiles: Cc1cc(ccc1Oc1ccc(cc1)S(=O)(=O)C(F)(F)F)-n1c(=O)[nH]c(=O)n(C)c1=O
inchi:
InChI=1S/C18H14F3N3O6S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)30-12-4-6-13(7-5-12)31(28,29)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)


name: Toltrazuril sulfoxide
cas: 69004-15-5
chemspiderid: 8472533
dtxsid: DTXSID70437844
formula: C18H14F3N3O5S1
inchikey: QWKYIPKCLAUFCM-UHFFFAOYSA-N
norman_susdat_id: NS00003421
pubchem_cid: 10297065
smiles: Cc1cc(ccc1Oc1ccc(cc1)S(=O)C(F)(F)F)-n1c(=O)[nH]c(=O)n(C)c1=O
inchi:
InChI=1S/C18H14F3N3O5S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)29-12-4-6-13(7-5-12)30(28)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)


cas: 69009-88-7
formula: C32H54O7
norman_susdat_id: NS00101267
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(3-carboxydodecenyl-1-oxopropyl)-.omega.-(3-carboxydodecenyl-1-oxopropoxy)-


cas: 6901-13-9
formula: C22H25NO6
inchikey: VKPVZFOUXUQJMW-UHFFFAOYSA-N
norman_susdat_id: NS00044733
pubchem_cid: 110937
smiles: O=C(NC1C2=C(C=3C(OC)=C(OC)C(OC)=CC3CC1)C4C=C(OC)C(=O)C24)C
name:
[7S-(7a,7bß,10aß)]-N-(5,6,7,7b,8,10a-hexahydro-1,2,3,9-tetramethoxy-8-oxobenzo[a]cyclopenta[3,4]cyclobuta[1,2-c]cyclohepten-7-yl)acetamide

inchi:
InChI=1/C22H25NO6/c1-10(24)23-13-7-6-11-8-15(27-3)21(28-4)22(29-5)16(11)17-12-9-14(26-2)20(25)18(12)19(13)17/h8-9,12-13,18H,6-7H2,1-5H3,(H,23,24)


cas: 69013-34-9
chemspiderid: 2299288
dtxsid: DTXSID1071953
formula: C19H13F19N1O7P1S1
inchikey: PUQQCLQURHMROM-ZHACJKMWSA-N
norman_susdat_id: NS00011148
pubchem_cid: 3034923
name:
N-Methyl-4-[[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-pentenyl]oxy]-N-[2-(phosphonooxy)ethyl]benzenesulfonamide

inchi:
InChI=1S/C19H13F19NO7PS/c1-39(6-7-45-47(40,41)42)48(43,44)9-4-2-8(3-5-9)46-11(14(23,24)25)10(13(20,21)22)12(17(30,31)32,15(26,27)18(33,34)35)16(28,29)19(36,37)38/h2-5H,6-7H2,1H3,(H2,40,41,42)/b11-10+

smiles:
C1=CC(=CC=C1[S](=O)(=O)N(CCO[P](=O)(O)O)C)OC(=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F


name: Genipin
cas: 6902-77-8
chebiid: CHEBI:5298
dtxsid: DTXSID30894999
formula: C11H14O5
inchikey: AZKVWQKMDGGDSV-BCMRRPTOSA-N
norman_susdat_id: NS00097440
smiles: COC(=O)C1=CO[C@H]([C@H]2[C@@H]1CC=C2CO)O
inchi:
InChI=1S/C11H14O5/c1-15-10(13)8-5-16-11(14)9-6(4-12)2-3-7(8)9/h2,5,7,9,11-12,14H,3-4H2,1H3/t7-,9-,11-/m1/s1


name: Balapiravir
cas: 690270-65-6
dtxsid: DTXSID40219098
formula: C21H30N6O8
inchikey: VKXWOLCNTHXCLF-DXEZIKHYSA-N
norman_susdat_id: NS00072154
pubchem_cid: 11691726
smiles: CC(C)C(=O)OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C
inchi:
InChI=1S/C21H30N6O8/c1-10(2)17(28)32-9-21(25-26-23)15(34-19(30)12(5)6)14(33-18(29)11(3)4)16(35-21)27-8-7-13(22)24-20(27)31/h7-8,10-12,14-16H,9H2,1-6H3,(H2,22,24,31)/t14-,15+,16-,21-/m1/s1


cas: 69029-35-2
norman_susdat_id: NS00076035
name:
9,12-Octadecadienoic acid (9Z,12Z)-, dimer, polymer with 2-(chloromethyl)oxirane, 4,4'-(1-methylethylidene)bis[phenol] and 2-propenoic acid, nonanoate


cas: 69029-44-3
formula: C3H9O6P
norman_susdat_id: NS00101684
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.',.alpha.''-1,2,3-propanetriyltris[.omega.-hydroxy-, phosphate


name: Sodium 6-amino-5-[(4-anilinosulphonylphenyl)azo]-4-hydroxynaphthalene-2-sulphonate
cas: 69029-99-8
formula: C22H18N4O6S2.Na
inchikey: PHFFTMDAGZHLEM-UHFFFAOYSA-M
norman_susdat_id: NS00091076
smiles: [Na+].O=S(=O)(Nc1ccccc1)c2ccc(cc2)N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O
inchi:
InChI=1/C22H18N4O6S2.Na/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);/q;+1/p-1


name: Trisodium 8-[(4-methyl-3-nitrobenzoyl)amino]naphthalene-1,3,5-trisulphonate
cas: 69031-54-5
dtxsid: DTXSID70219102
formula: C18H15N2O12S3
inchikey: YCCFZXJJUOXAGV-UHFFFAOYSA-K
norman_susdat_id: NS00063578
pubchem_cid: NA
inchi:
InChI=1/C18H14N2O12S3.3Na/c1-9-2-3-10(6-14(9)20(22)23)18(21)19-13-4-5-15(34(27,28)29)12-7-11(33(24,25)26)8-16(17(12)13)35(30,31)32;;;/h2-8H,1H3,(H,19,21)(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(C2=CC(=CC(=C12)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C3=CC=C(C(=C3)[N+](=O)[O-])C


name: Trisodium 8-[(3-amino-4-methylbenzoyl)amino]naphthalene-1,3,5-trisulphonate
cas: 69031-55-6
dtxsid: DTXSID30219103
formula: C18H16N2O10S3
inchikey: BXBFOMQNPGQPJK-UHFFFAOYSA-K
norman_susdat_id: NS00063579
pubchem_cid: 365462
inchi:
InChI=1/C18H16N2O10S3.3Na/c1-9-2-3-10(6-13(9)19)18(21)20-14-4-5-15(32(25,26)27)12-7-11(31(22,23)24)8-16(17(12)14)33(28,29)30;;;/h2-8H,19H2,1H3,(H,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(C2=CC(=CC(=C12)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C3=CC=C(C(N)=C3)C


cas: 69039-70-9
formula: C55H36N8O18S4
inchikey: ZDPDCWNMHNUFAT-UHFFFAOYSA-N
norman_susdat_id: NS00063580
pubchem_cid: NA
name:
Methylenebis(3-hydroxy-5-methyl-4,1-phenylene) tetrakis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)

inchi:
InChI=1/C55H32N8O18S4/c1-26-23-42(78-82(70,71)44-11-3-7-32-28(44)15-19-38(60-56)48(32)64)36(52(68)54(26)80-84(74,75)46-13-5-9-34-30(46)17-21-40(62-58)50(34)66)25-37-43(79-83(72,73)45-12-4-8-33-29(45)16-20-39(61-57)49(33)65)24-27(2)55(53(37)69)81-85(76,77)47-14-6-10-35-31(47)18-22-41(63-59)51(35)67/h3-24,68-69H,25H2,1-2H3

smiles:
[N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)OC=3C=C(C(OS(=O)(=O)C=4C=CC=C5C(=O)C(=[N+]=[N-])C=CC54)=C(O)C3CC6=C(OS(=O)(=O)C=7C=CC=C8C(=O)C(=[N+]=[N-])C=CC87)C=C(C(OS(=O)(=O)C=9C=CC=C%10C(=O)C(=[N+]=[N-])C=CC%109)=C6O)C)C)C1=O


name: 1,3,3,5,5,7-hexamethyl-1,1,7,7-tetraphenyltetrasiloxane
cas: 6904-66-1
dtxsid: DTXSID90219109
formula: C30H38O3Si4
inchikey: HNGWDEQHOJWGBN-UHFFFAOYSA-N
norman_susdat_id: NS00044735
pubchem_cid: 81324
smiles: O([Si](O[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C)(C)C)[Si](O[Si](C=3C=CC=CC3)(C=4C=CC=CC4)C)(C)C
inchi:
InChI=1/C30H38O3Si4/c1-34(2,32-36(5,27-19-11-7-12-20-27)28-21-13-8-14-22-28)31-35(3,4)33-37(6,29-23-15-9-16-24-29)30-25-17-10-18-26-30/h7-26H,1-6H3


name: 5,7-dichloro-1,2-dihydro-2-(5,6,7-trichloro-3-oxobenzo[b]thien-2(3H)-ylidene)-3H-indol-3-one
cas: 6904-93-4
formula: C16H4Cl5NO2S
inchikey: TYUNCXNATFQTAL-UHFFFAOYSA-N
norman_susdat_id: NS00045281
pubchem_cid: NA
smiles: O=C1C(SC2=C(Cl)C(Cl)=C(Cl)C=C12)=C3NC=4C(Cl)=CC(Cl)=CC4C3=O
inchi:
InChI=1/C16H4Cl5NO2S/c17-4-1-5-11(8(19)2-4)22-12(13(5)23)16-14(24)6-3-7(18)9(20)10(21)15(6)25-16/h1-3,22H


cas: 69049-06-5
formula: C21H32N6O3.ClH
inchikey: AQORHZJDCHLLJN-UHFFFAOYSA-N
norman_susdat_id: NS00091077
smiles: Cl.CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)c3ccccc3)C1=O
name:
N-[1-[2-(4-ethyl-4,5-dihydro-5-oxo-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropionamide hydrochloride

inchi:
InChI=1/C21H32N6O3.ClH/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26;/h6-10H,4-5,11-17H2,1-3H3;1H


name: Nedocromil
cas: 69049-73-6
chebiid: CHEBI:7492
chemspiderid: 45608
dtxsid: DTXSID7023356
formula: C19H17N1O7
inchikey: RQTOOFIXOKYGAN-UHFFFAOYSA-N
norman_susdat_id: NS00009611
pubchem_cid: 50294
smiles: CCCc1c2oc(cc(=O)c2cc2c1n(CC)c(cc2=O)C(O)=O)C(O)=O
inchi:
InChI=1S/C19H17NO7/c1-3-5-9-16-10(13(21)7-12(18(23)24)20(16)4-2)6-11-14(22)8-15(19(25)26)27-17(9)11/h6-8H,3-5H2,1-2H3,(H,23,24)(H,25,26)


name: (4-(4,4'-Bis(2-carboxyethoxy)benzhydrylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium
cas: 69059-95-6
chemspiderid: 57523177
dtxsid: DTXSID20219117
formula: C27H30N2O6
inchikey: DQQXXIXWXMZJEM-UHFFFAOYSA-P
norman_susdat_id: NS00036797
pubchem_cid: 44152718
smiles: [NH3+]CC1(C[NH3+])C=CC(=C(c2ccc(OCCC(=O)O)cc2)c2ccc(OCCC(=O)O)cc2)C=C1
inchi:
InChI=1S/C27H30N2O6/c28-17-27(18-29)13-9-21(10-14-27)26(19-1-5-22(6-2-19)34-15-11-24(30)31)20-3-7-23(8-4-20)35-16-12-25(32)33/h1-10,13-14H,11-12,15-18,28-29H2,(H,30,31)(H,32,33)


name: [4-[bis[3-(carboxymethyl)-4-methoxyphenyl]methylene]-2,5-cyclohexadien-1-ylidene]dimethylammonium
cas: 69060-00-0
dtxsid: DTXSID20988790
formula: C27H28NO6
inchikey: MGMYROMQJFVQNK-UHFFFAOYSA-O
norman_susdat_id: NS00062515
pubchem_cid: 3017907
smiles: O=C(O)CC1=CC(=CC=C1OC)C(=C2C=CC(C=C2)=[N+](C)C)C3=CC=C(OC)C(=C3)CC(=O)O
inchi:
InChI=1/C27H27NO6/c1-28(2)22-9-5-17(6-10-22)27(18-7-11-23(33-3)20(13-18)15-25(29)30)19-8-12-24(34-4)21(14-19)16-26(31)32/h5-14H,15-16H2,1-4H3,(H-,29,30,31,32)/p+1


name: AG-G-68328
cas: 690626-19-8
chemspiderid: 2089809
dtxsid: DTXSID80384613
formula: C19H23N5O3
inchikey: NJIDZOZYJQNASA-UHFFFAOYSA-N
norman_susdat_id: NS00016308
pubchem_cid: NA
smiles: C1CN(CCN1CCNC(=O)C2=NC=CN=C2C(=O)O)CC3=CC=CC=C3
inchi:
InChI=1S/C19H23N5O3/c25-18(16-17(19(26)27)21-7-6-20-16)22-8-9-23-10-12-24(13-11-23)14-15-4-2-1-3-5-15/h1-7H,8-14H2,(H,22,25)(H,26,27)


name: 2-morpholino-5-(1H-pyrrol-1-yl)benzoic acid
cas: 690632-76-9
chemspiderid: 2092687
dtxsid: DTXSID80384638
formula: C15H16N2O3
inchikey: ANQJKFVOUAXTCA-UHFFFAOYSA-N
norman_susdat_id: NS00018607
pubchem_cid: 2814298
smiles: C1COCCN1C2=C(C=C(C=C2)N3C=CC=C3)C(=O)O
inchi:
InChI=1S/C15H16N2O3/c18-15(19)13-11-12(16-5-1-2-6-16)3-4-14(13)17-7-9-20-10-8-17/h1-6,11H,7-10H2,(H,18,19)


cas: 69068-23-1
dtxsid: DTXSID40882842
norman_susdat_id: NS00110307
name:
Propanoic acid, 3-[1-[difluoro [(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro-, sodium salt, polymer with tetrafluoroethene


cas: 69075-62-3
chemspiderid: 17333441
dtxsid: DTXSID2074748
formula: C37H58O3S2
inchikey: JGLKESSHJGLOFL-UHFFFAOYSA-N
norman_susdat_id: NS00036798
pubchem_cid: 16205215
smiles: CCCCCCCCCCCCSCCC(=O)Oc1c(cc(Sc2cc(c(O)cc2C)C(C)(C)C)c(C)c1)C(C)(C)C
name:
Propanoic acid, 3-(dodecylthio)-, 2-(1,1-dimethylethyl)-4-[[5-(1,1-dimethylethyl)-4-hydroxy-2-methylphenyl]thio]-5-methylphenyl ester

inchi:
InChI=1S/C37H58O3S2/c1-10-11-12-13-14-15-16-17-18-19-21-41-22-20-35(39)40-32-24-28(3)34(26-30(32)37(7,8)9)42-33-25-29(36(4,5)6)31(38)23-27(33)2/h23-26,38H,10-22H2,1-9H3


name: Sodium [[1-(methoxycarbonyl)allyl]amino]phenylacetate
cas: 6908-42-5
dtxsid: DTXSID10988800
formula: C13H15NO4
inchikey: DXXSLDBGRGPPJR-UHFFFAOYSA-M
norman_susdat_id: NS00045282
pubchem_cid: 21149337
smiles: [Na+].O=C([O-])C(NC(C=C)C(=O)OC)C=1C=CC=CC1
inchi:
InChI=1/C13H15NO4.Na/c1-3-10(13(17)18-2)14-11(12(15)16)9-7-5-4-6-8-9;/h3-8,10-11,14H,1H2,2H3,(H,15,16);/q;+1/p-1


name: [4-[bis[4-(3-carboxypropoxy)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium
cas: 69087-42-9
dtxsid: DTXSID90988803
formula: C29H32NO6
inchikey: UWRKUTLWCWITFN-UHFFFAOYSA-O
norman_susdat_id: NS00063312
pubchem_cid: 3017909
smiles: O=C(O)CCCOC1=CC=C(C=C1)C(C2=CC=C(OCCCC(=O)O)C=C2)=C3C=CC(C=C3)=[N+](C)C
inchi:
InChI=1/C29H31NO6/c1-30(2)24-13-7-21(8-14-24)29(22-9-15-25(16-10-22)35-19-3-5-27(31)32)23-11-17-26(18-12-23)36-20-4-6-28(33)34/h7-18H,3-6,19-20H2,1-2H3,(H-,31,32,33,34)/p+1


cas: 69087-47-4
dtxsid: DTXSID60882905
norman_susdat_id: NS00110990
name:
Propanoic acid, 3-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro-, polymer with tetrafluoroethene


name: N,N,N,N',N'-pentamethyl-N'-[3-[(tetramethylnonyl)oxy]propyl]-N,N'-trimethylenediammonium dichloride
cas: 69089-42-5
dtxsid: DTXSID20890026
formula: C24H54N2O
inchikey: NJSRSUHUORSOMG-UHFFFAOYSA-L
norman_susdat_id: NS00063313
pubchem_cid: 172384
smiles: [Cl-].[Cl-].O(CCC[N+](C)(C)CCC[N+](C)(C)C)C(C)(C)C(C)(C)CCCCCCC
inchi:
InChI=1/C24H54N2O.2ClH/c1-11-12-13-14-15-18-23(2,3)24(4,5)27-22-17-21-26(9,10)20-16-19-25(6,7)8;;/h11-22H2,1-10H3;2*1H/q+2;;/p-2


name: Perfluorononane sulfonamido ammonium iodide
cas: 69091-20-9
dtxsid: DTXSID40893256
formula: C15H16F19N2OS
inchikey: IEIYQVSGMNXXNU-UHFFFAOYSA-N
norman_susdat_id: NS00110331
smiles: C[N+](C)(C)CCCNS(=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)C(F)(F)F
inchi:
InChI=1/C15H16F19N2OS/c1-36(2,3)6-4-5-35-38(37)15(33,34)13(28,29)11(24,25)9(20,21)7(16,17)8(18,19)10(22,23)12(26,27)14(30,31)32/h35H,4-6H2,1-3H3/q+1


name: 9,10-Anthracenedione, 1-amino-4,8-dihydroxy-5-[(1-methylethyl)amino]-
cas: 69093-18-1
chemspiderid: 100610
dtxsid: DTXSID1071955
formula: C17H16N2O4
inchikey: DAHSRRGMYJJGTF-UHFFFAOYSA-N
norman_susdat_id: NS00036803
pubchem_cid: 112237
smiles: CC(C)Nc1ccc(O)c2c1C(=O)c1c(O)ccc(N)c1C2=O
inchi:
InChI=1S/C17H16N2O4/c1-7(2)19-9-4-6-11(21)15-13(9)17(23)14-10(20)5-3-8(18)12(14)16(15)22/h3-7,19-21H,18H2,1-2H3


name: 2-chloro-N-[[[4-(2,2-dichloro-1,1-difluoroethoxy)phenyl]amino]carbonyl]benzamide
cas: 69095-55-2
dtxsid: DTXSID40219134
formula: C16H11Cl3F2N2O3
inchikey: HVRZGDODADLEAH-UHFFFAOYSA-N
norman_susdat_id: NS00063314
pubchem_cid: 155194
smiles: O=C(NC(=O)C=1C=CC=CC1Cl)NC2=CC=C(OC(F)(F)C(Cl)Cl)C=C2
inchi:
InChI=1/C16H11Cl3F2N2O3/c17-12-4-2-1-3-11(12)13(24)23-15(25)22-9-5-7-10(8-6-9)26-16(20,21)14(18)19/h1-8,14H,(H2,22,23,24,25)


name: 8-Benzyloxy-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid
cas: 69114-85-8
chemspiderid: 15235096
dtxsid: DTXSID80219178
formula: C16H14O5
inchikey: NYUOYBBDYFPVSL-UHFFFAOYSA-N
norman_susdat_id: NS00036804
pubchem_cid: 13020411
smiles: OC(=O)c1c2OCCOc2c(OCc2ccccc2)cc1
inchi:
InChI=1S/C16H14O5/c17-16(18)12-6-7-13(15-14(12)19-8-9-20-15)21-10-11-4-2-1-3-5-11/h1-7H,8-10H2,(H,17,18)


name: Methyl perfluoro(8-(fluoroformyl)-5-methyl-4,7-dioxanonanoate)
cas: 69116-73-0
chemspiderid: 85407
dtxsid: DTXSID90881284
formula: C10H3F15O5
inchikey: JOMJXRTUQWIHQD-UHFFFAOYSA-N
norman_susdat_id: NS00003388
pubchem_cid: 94650
smiles: COC(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)=O)C(F)(F)F
inchi:
InChI=1S/C10H3F15O5/c1-28-3(27)4(12,13)9(22,23)30-6(15,8(19,20)21)10(24,25)29-5(14,2(11)26)7(16,17)18/h1H3


name: Cinepaxadil
cas: 69118-25-8
formula: C29H36N2O9
inchikey: SYFDPNLESAYNCB-UHFFFAOYSA-N
norman_susdat_id: NS00063315
pubchem_cid: NA
smiles: O=C(C=CC1=CC(OC)=C(OC)C(OC)=C1)N2CCN(CC2)CC(O)COC3=CC=C(C(=O)C)C=4OCCOC34
inchi:
InChI=1/C29H36N2O9/c1-19(32)22-6-7-23(29-27(22)38-13-14-39-29)40-18-21(33)17-30-9-11-31(12-10-30)26(34)8-5-20-15-24(35-2)28(37-4)25(16-20)36-3/h5-8,15-16,21,33H,9-14,17-18H2,1-4H3


cas: 69121-14-8
dtxsid: DTXSID80890027
formula: C32H23N7O10S
inchikey: ABTPGIOEJSPPAW-UHFFFAOYSA-L
norman_susdat_id: NS00062079
pubchem_cid: 135853657
name:
Disodium 5-[[4-[[2,6-dihydroxy-3-[[2-hydroxy-5-[(3-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]benzoyl]amino]salicylate

inchi:
InChI=1/C32H23N7O10S.2Na/c40-26-11-8-19(15-23(26)32(45)46)33-31(44)17-4-6-18(7-5-17)34-39-29-28(42)13-10-24(30(29)43)37-38-25-16-21(9-12-27(25)41)36-35-20-2-1-3-22(14-20)50(47,48)49;;/h1-16,40-43H,(H,33,44)(H,45,46)(H,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(=CC=C1O)NC(=O)C2=CC=C(N=NC=3C(O)=CC=C(N=NC4=CC(N=NC5=CC=CC(=C5)S(=O)(=O)[O-])=CC=C4O)C3O)C=C2


cas: 69121-15-9
dtxsid: DTXSID40890028
formula: C21H14ClF2N5O10S3
inchikey: IUUGODBEMSMQCX-UHFFFAOYSA-K
norman_susdat_id: NS00062108
pubchem_cid: 172388
name:
Trisodium 2-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]toluene-3,5-disulphonate

inchi:
InChI=1/C21H14ClF2N5O10S3.3Na/c1-8-4-11(40(31,32)33)7-14(42(37,38)39)16(8)28-29-17-13(41(34,35)36)6-9-5-10(2-3-12(9)18(17)30)25-20-15(22)19(23)26-21(24)27-20;;;/h2-7,30H,1H3,(H,25,26,27)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC=4N=C(F)N=C(F)C4Cl)=C(C1)S(=O)(=O)[O-])C


name: Fiacitabine
cas: 69123-90-6
dtxsid: DTXSID8057807
formula: C9H11FIN3O4
inchikey: GIMSJJHKKXRFGV-BYPJNBLXSA-N
norman_susdat_id: NS00071552
pubchem_cid: 50312
smiles: Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I
inchi:
InChI=1S/C9H11FIN3O4/c10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17/h1,4-6,8,15-16H,2H2,(H2,12,13,17)/t4-,5+,6-,8-/m1/s1


name: 2'-Fluoro-5-ethylarabinosyluracil
cas: 69123-94-0
dtxsid: DTXSID20219192
formula: C9H11FN2O5
inchikey: UIYWFOZZIZEEKJ-PXBUCIJWSA-N
norman_susdat_id: NS00071553
pubchem_cid: 3007908
smiles: O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]1
inchi:
InChI=1S/C9H11FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6+,7-,8-/m1/s1


name: Ethyldimethyl[3-[(1-oxododecyl)amino]propyl]ammonium ethyl sulphate
cas: 69125-07-1
dtxsid: DTXSID30988847
formula: C19H41N2O
inchikey: RVJGNLJKCPOIQA-UHFFFAOYSA-N
norman_susdat_id: NS00062297
pubchem_cid: 3017912
smiles: O=C(NCCC[N+](C)(C)CC)CCCCCCCCCCC.O=S(=O)([O-])OCC
inchi:
InChI=1/C19H40N2O.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-16-19(22)20-17-15-18-21(3,4)6-2;1-2-6-7(3,4)5/h5-18H2,1-4H3;2H2,1H3,(H,3,4,5)


name: (+)-Naloxone hydrochloride
cas: 69133-14-8
dtxsid: DTXSID20219197
formula: C19H22ClNO4
inchikey: RGPDIGOSVORSAK-DGSQZXNISA-N
norman_susdat_id: NS00076219
smiles: Cl.OC1=C2O[C@@H]3C(=O)CC[C@]4(O)[C@@H]5CC(C=C1)=C2[C@]34CCN5CC=C
inchi:
InChI=1S/C19H21NO4.ClH/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;/h2-4,14,17,21,23H,1,5-10H2;1H/t14-,17+,18+,19-;/m0./s1


name: 1-(6H-Perfluorohexyl)-1-(fluoren-2-yl)-N-(perfluorobutyl)sulfonyloxymethanimine
cas: 691358-66-4
dtxsid: DTXSID30893548
formula: C24H10F21NO3S
inchikey: PEZXXNHCOCQAKU-UHFFFAOYSA-N
norman_susdat_id: NS00110000
inchi:
InChI=1S/C24H10F21NO3S/c25-15(26)17(29,30)19(33,34)20(35,36)18(31,32)16(27,28)14(10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)13)46-49-50(47,48)24(44,45)22(39,40)21(37,38)23(41,42)43/h1-6,8,15H,7H2

smiles:
FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=NOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=CC2=C(C=C1)C1=C(C2)C=CC=C1


cas: 69140-63-2
dtxsid: DTXSID10890030
formula: C26H17ClF2N8O16S5
inchikey: WWJXUTBQUHLEPS-UHFFFAOYSA-I
norman_susdat_id: NS00061794
pubchem_cid: 135666599
name:
Pentasodium 4-amino-3-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulphonatophenyl]azo]-6-[(2,5-disulphonatophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C26H17ClF2N8O16S5.5Na/c27-19-24(28)32-26(29)33-25(19)31-10-1-3-14(55(42,43)44)12(7-10)34-36-21-16(57(48,49)50)5-9-6-17(58(51,52)53)22(23(38)18(9)20(21)30)37-35-13-8-11(54(39,40)41)2-4-15(13)56(45,46)47;;;;;/h1-8,38H,30H2,(H,31,32,33)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C(N=NC2=C(O)C=3C(C=C2S(=O)(=O)[O-])=CC(=C(N=NC4=CC(=CC=C4S(=O)(=O)[O-])NC=5N=C(F)N=C(F)C5Cl)C3N)S(=O)(=O)[O-])=C1)S(=O)(=O)[O-]


name: 1,1,1,3,5,7,7,7-octamethyl-3,5-bis[3-(oxiranylmethoxy)propyl]tetrasiloxane
cas: 69155-42-6
dtxsid: DTXSID30887649
formula: C20H46O7Si4
inchikey: JUWDVKFMBOWEOL-UHFFFAOYSA-N
norman_susdat_id: NS00062298
pubchem_cid: 261457
smiles: O(CCC[Si](O[Si](O[Si](C)(C)C)(C)CCCOCC1OC1)(O[Si](C)(C)C)C)CC2OC2
inchi:
InChI=1/C20H46O7Si4/c1-28(2,3)25-30(7,13-9-11-21-15-19-17-23-19)27-31(8,26-29(4,5)6)14-10-12-22-16-20-18-24-20/h19-20H,9-18H2,1-8H3


name: (2Z,4S,5S,6S,7R,8Z)-2,9-diphenyldeca-2,8-diene-3,4,5,6,7,8-hexol
cas: 69158-41-4
formula: C22H26O6
inchikey: WOOQSKAMMPIQIW-HCXPZJNHSA-N
norman_susdat_id: NS00097012
smiles: C/C(=C(/O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)/C(=C(/C1=CC=CC=C1)C)/O)/C2=CC=CC=C2
inchi:
InChI=1S/C22H26O6/c1-13(15-9-5-3-6-10-15)17(23)19(25)21(27)22(28)20(26)18(24)14(2)16-11-7-4-8-12-16/h3-12,19-28H,1-2H3/b17-13-,18-14-/t19-,20+,21-,22-/m1/s1


name: 11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-hexanoate
cas: 69164-69-8
formula: C27H38O6
inchikey: DNSAKUGJOSFARZ-FOMYWIRZSA-N
norman_susdat_id: NS00063361
pubchem_cid: 155202
smiles: O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)CCCCC)C4(C)CC(O)C32)C
inchi:
InChI=1/C27H38O6/c1-4-5-6-7-23(31)33-16-22(30)27(32)13-11-20-19-9-8-17-14-18(28)10-12-25(17,2)24(19)21(29)15-26(20,27)3/h10,12,14,19-21,24,29,32H,4-9,11,13,15-16H2,1-3H3


cas: 69178-35-4
dtxsid: DTXSID40887650
formula: C22H37NO7
inchikey: OSUIYPNGJIVLBX-UHFFFAOYSA-N
norman_susdat_id: NS00063362
pubchem_cid: 112141
smiles: O=C(OCC(CO)(COC(=O)C1C2CC(C)C(C2)C1C(=O)O)CC)CCCCCN
name:
2-[2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] hydrogen 5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate

inchi:
InChI=1/C22H37NO7/c1-3-22(11-24,12-29-17(25)7-5-4-6-8-23)13-30-21(28)18-15-9-14(2)16(10-15)19(18)20(26)27/h14-16,18-19,24H,3-13,23H2,1-2H3,(H,26,27)


cas: 69178-38-7
dtxsid: DTXSID30890032
formula: C26H20N6O10S3
inchikey: PZGBEYOUNKVKNE-UHFFFAOYSA-K
norman_susdat_id: NS00061812
pubchem_cid: 112251
name:
Trisodium 6-[(2,4-diaminophenyl)azo]-4-hydroxy-3-[(4-sulphonato-1-naphthyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C26H20N6O10S3.3Na/c27-14-5-6-20(18(28)11-14)30-31-21-12-17-13(9-23(21)44(37,38)39)10-24(45(40,41)42)25(26(17)33)32-29-19-7-8-22(43(34,35)36)16-4-2-1-3-15(16)19;;;/h1-12,33H,27-28H2,(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=C(O)C3=CC(N=NC4=CC=C(N)C=C4N)=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=5C=CC=CC51


name: [2-[[(6-amino-1-oxohexyl)oxy]methyl]-2-(hydroxymethyl)butyl] hydrogen cyclohexane-1,2-dicarboxylate
cas: 69178-39-8
dtxsid: DTXSID00887651
formula: C20H35NO7
inchikey: CPEPBVDDMUAZAA-UHFFFAOYSA-N
norman_susdat_id: NS00063363
pubchem_cid: 112142
smiles: O=C(OCC(CO)(COC(=O)C1CCCCC1C(=O)O)CC)CCCCCN
inchi:
InChI=1/C20H35NO7/c1-2-20(12-22,13-27-17(23)10-4-3-7-11-21)14-28-19(26)16-9-6-5-8-15(16)18(24)25/h15-16,22H,2-14,21H2,1H3,(H,24,25)


name: Adenylyl-(5'<U+2192>2')-guanosine
cas: 6918-37-2
formula: C20H25N10O11P
inchikey: ZLNKIMYMVZHDPX-UHFFFAOYSA-N
norman_susdat_id: NS00044726
pubchem_cid: NA
smiles: O=C1NC(=NC2=C1N=CN2C3OC(CO)C(O)C3OP(=O)(O)OCC4OC(N5C=NC=6C(=NC=NC65)N)C(O)C4O)N
inchi:
InChI=1/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(34)10(32)7(40-18)2-38-42(36,37)41-13-11(33)6(1-31)39-19(13)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)


name: Hcv-086
cas: 691852-36-5
formula: C20H21FN2O5S
inchikey: VBRUONUESYTIDA-UHFFFAOYSA-N
norman_susdat_id: NS00072289
pubchem_cid: 10409873
smiles: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(NS(C)(=O)=O)c(OC(C)C)cc12
inchi:
InChI=1S/C20H21FN2O5S/c1-11(2)27-17-9-14-16(10-15(17)23-29(4,25)26)28-19(18(14)20(24)22-3)12-5-7-13(21)8-6-12/h5-11,23H,1-4H3,(H,22,24)


name: Nesbuvir
cas: 691852-58-1
dtxsid: DTXSID90219225
formula: C22H23FN2O5S
inchikey: WTDWVLJJJOTABN-UHFFFAOYSA-N
norman_susdat_id: NS00071911
pubchem_cid: 11561383
smiles: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12
inchi:
InChI=1S/C22H23FN2O5S/c1-24-22(27)20-17-11-16(13-3-4-13)18(25(9-10-26)31(2,28)29)12-19(17)30-21(20)14-5-7-15(23)8-6-14/h5-8,11-13,26H,3-4,9-10H2,1-2H3,(H,24,27)


name: DL-aspartic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 69201-68-9
formula: C6H15NO3.C4H7NO4
inchikey: JXQLSFGNCSECAG-WNQIDUERSA-N
norman_susdat_id: NS00091625
smiles: N[C@@H](CC(=O)O)C(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C6H15NO3.C4H7NO4/c8-4-1-7(2-5-9)3-6-10;5-2(4(8)9)1-3(6)7/h8-10H,1-6H2;2H,1,5H2,(H,6,7)(H,8,9)


cas: 69205-10-3
dtxsid: DTXSID90890033
formula: C35H28N6O10S2
inchikey: LKRUCXOQQYNEOR-UHFFFAOYSA-L
norman_susdat_id: NS00062133
pubchem_cid: NA
name:
Disodium 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxyphenyl)azo]-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-[(o-tolyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C35H28N6O10S2.2Na/c1-19-7-3-4-8-26(19)38-40-31-29(52(45,46)47)17-20-15-22(11-13-24(20)33(31)42)36-35(44)37-23-12-14-25-21(16-23)18-30(53(48,49)50)32(34(25)43)41-39-27-9-5-6-10-28(27)51-2;;/h3-18,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3OC)C2O)S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC=6C=CC=CC6C)C5O)S(=O)(=O)[O-]


name: Benzylmagnesium chloride
cas: 6921-34-2
formula: C7H7ClMg
inchikey: NRAFPLGJPPJUNB-UHFFFAOYSA-M
norman_susdat_id: NS00081111
smiles: [Cl-].[Mg+]Cc1ccccc1
inchi:
InChI=1/C7H7.ClH.Mg/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q;;+1/p-1/rC7H7Mg.ClH/c8-6-7-4-2-1-3-5-7;/h1-5H,6H2;1H/q+1;/p-1


name: Sumacetamol
cas: 69217-67-0
chemspiderid: 8217497
dtxsid: DTXSID90219260
formula: C15H20N2O4S1
inchikey: GDRGOYFISYGSHQ-AWEZNQCLSA-N
norman_susdat_id: NS00036813
pubchem_cid: 3034043
smiles: CSCC[C@H](NC(=O)C)C(=O)Oc1ccc(NC(=O)C)cc1
inchi:
InChI=1S/C15H20N2O4S/c1-10(18)16-12-4-6-13(7-5-12)21-15(20)14(8-9-22-3)17-11(2)19/h4-7,14H,8-9H2,1-3H3,(H,16,18)(H,17,19)/t14-/m0/s1


name: Phenol, 4,4'-[oxybis(methylene)]bis[2,6-bis(1,1-dimethylethyl)-
cas: 6922-60-7
dtxsid: DTXSID4064505
formula: C30H46O3
inchikey: HWCZIOQRLAPHDF-UHFFFAOYSA-N
norman_susdat_id: NS00066882
smiles: CC(C)(C)C1=CC(COCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C
inchi:
InChI=1S/C30H46O3/c1-27(2,3)21-13-19(14-22(25(21)31)28(4,5)6)17-33-18-20-15-23(29(7,8)9)26(32)24(16-20)30(10,11)12/h13-16,31-32H,17-18H2,1-12H3


name: (9S)-1-benzyl-9-hydroxycinchonanium chloride
cas: 69221-14-3
formula: C26H29N2O
inchikey: FCHYSBWCOKEPNQ-QOVGZWAVSA-M
norman_susdat_id: NS00061813
pubchem_cid: 131857705
smiles: [Cl-].OC(C=1C=CN=C2C=CC=CC21)C3CC4CC[N+]3(CC=5C=CC=CC5)CC4C=C
inchi:
InChI=1/C26H29N2O.ClH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1


name: Beclomethasone-21-propionate
cas: 69224-79-9
chemspiderid: 8109814
formula: C25H33Cl1O6
inchikey: OPNPEZLXXKGRTA-XGQKBEPLSA-N
norman_susdat_id: NS00002497
pubchem_cid: 9934186
smiles: CCC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C
inchi:
InChI=1S/C25H33ClO6/c1-5-21(30)32-13-20(29)25(31)14(2)10-18-17-7-6-15-11-16(27)8-9-22(15,3)24(17,26)19(28)12-23(18,25)4/h8-9,11,14,17-19,28,31H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1


name: 8,8-dioctyl-1,4-dioxa-7,9-dithia-8-stannacycloundecane-5,11-dione
cas: 69226-44-4
dtxsid: DTXSID3074369
formula: C22H42O4S2Sn
inchikey: XTFWXVDCMIKXBZ-UHFFFAOYSA-L
norman_susdat_id: NS00062135
pubchem_cid: NA
smiles: O=C1OCCOC(=O)CS[Sn](SC1)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C8H17.C6H10O4S2.Sn/c2*1-3-5-7-8-6-4-2;7-5(3-11)9-1-2-10-6(8)4-12;/h2*1,3-8H2,2H3;11-12H,1-4H2;/q;;;+2/p-2/rC22H42O4S2Sn/c1-3-5-7-9-11-13-17-29(18-14-12-10-8-6-4-2)27-19-21(23)25-15-16-26-22(24)20-28-29/h3-20H2,1-2H3


name: N-benzylidene-3-(triethoxysilyl)propylamine
cas: 69227-26-5
dtxsid: DTXSID0071968
formula: C16H27NO3Si
inchikey: CDRHUURBSOCCDK-UHFFFAOYSA-N
norman_susdat_id: NS00063405
pubchem_cid: 112262
smiles: N(=CC=1C=CC=CC1)CCC[Si](OCC)(OCC)OCC
inchi:
InChI=1/C16H27NO3Si/c1-4-18-21(19-5-2,20-6-3)14-10-13-17-15-16-11-8-7-9-12-16/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3


name: Morpholinium palmitate
cas: 69228-44-0
formula: C16H32O2.C4H9NO
inchikey: ISRQAVNWPOWWCA-UHFFFAOYSA-N
norman_susdat_id: NS00090862
smiles: CCCCCCCCCCCCCCCC(=O)[O-].C1COCC[NH2+]1
inchi:
InChI=1/C16H32O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-6-4-2-5-1/h2-15H2,1H3,(H,17,18);5H,1-4H2


name: Antimony triacetate
cas: 6923-52-0
formula: C2H4O2.1/3Sb
inchikey: NSMVVPJZMRQLMR-UHFFFAOYSA-K
norman_susdat_id: NS00080903
smiles: [SbH3+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]
inchi:
InChI=1/3C2H4O2.Sb.3H/c3*1-2(3)4;;;;/h3*1H3,(H,3,4);;;;/q;;;+3;;;/p-3/r3C2H4O2.H3Sb/c3*1-2(3)4;/h3*1H3,(H,3,4);1H3/q;;;+3/p-3


name: Sodium 2-[ethyl(3-methylphenyl)amino]ethanesulphonate
cas: 6923-65-5
dtxsid: DTXSID80219294
formula: C11H17NO3S
inchikey: UGVDMCBCPTXLJB-UHFFFAOYSA-M
norman_susdat_id: NS00043887
pubchem_cid: 3014531
smiles: [Na+].O=S(=O)([O-])CCN(C1=CC=CC(=C1)C)CC
inchi:
InChI=1/C11H17NO3S.Na/c1-3-12(7-8-16(13,14)15)11-6-4-5-10(2)9-11;/h4-6,9H,3,7-8H2,1-2H3,(H,13,14,15);/q;+1/p-1


name: Acetylsulfapyridin-O-glukuronid
cas: 69233-18-7
chemspiderid: 166607
formula: C19H21N3O10S1
inchikey: QFECQALAOHMGAT-YUAHOQAQSA-N
norman_susdat_id: NS00002574
pubchem_cid: 191899
smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)cn1
inchi:
InChI=1S/C19H21N3O10S/c1-9(23)21-10-2-5-12(6-3-10)33(29,30)22-13-7-4-11(8-20-13)31-19-16(26)14(24)15(25)17(32-19)18(27)28/h2-8,14-17,19,24-26H,1H3,(H,20,22)(H,21,23)(H,27,28)/t14-,15-,16+,17-,19+/m0/s1


name: Nonyl (Z,Z)-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate
cas: 69239-37-8
formula: C47H86O8Sn
inchikey: XDOIGUGPYXEOBO-VMXYBJDNSA-L
norman_susdat_id: NS00062344
pubchem_cid: 20839824
smiles: O=C(OCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C18H32O4.C13H22O4.2C8H17.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;1-2-3-4-5-6-7-8-11-17-13(16)10-9-12(14)15;2*1-3-5-7-8-6-4-2;/h14-15H,2-13,16H2,1H3,(H,19,20);9-10H,2-8,11H2,1H3,(H,14,15);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC47H86O8Sn/c1-5-9-13-17-21-22-23-24-25-27-29-33-41-53-45(49)37-39-47(51)55-56(42-34-30-19-15-11-7-3,43-35-31-20-16-12-8-4)54-46(50)38-36-44(48)52-40-32-28-26-18-14-10-6-2/h36-39H,5-35,40-43H2,1-4H3


cas: 6926-08-5
dtxsid: DTXSID30988983
formula: C15H24O10
inchikey: XUWSHXDEJOOIND-UHFFFAOYSA-N
norman_susdat_id: NS00043280
pubchem_cid: 4678529
smiles: OCC1OC(OC2OC=CC3(O)C(O)CC(O)(C)C23)C(O)C(O)C1O
name:
[1S-(1a,4aa,5a,7a,7aa)]-1,4a,5,6,7,7a-hexahydro-4a,5,7-trihydroxy-7-methylcyclopenta[c]pyran-1-yl ß-D-glucopyranoside

inchi:
InChI=1/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3


name: Ethylbis(2-hydroxyethyl)oleylammonium ethyl sulphate
cas: 69268-83-3
formula: C24H50NO2
inchikey: QROMHTHYZARCNY-AFEZEDKISA-M
norman_susdat_id: NS00062345
pubchem_cid: 20837965
smiles: O=S(=O)([O-])OCC.OCC[N+](CC)(CCO)CCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H50NO2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(4-2,21-23-26)22-24-27;1-2-6-7(3,4)5/h11-12,26-27H,3-10,13-24H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: 2-hexyldecyl palmitate
cas: 69275-02-1
dtxsid: DTXSID00988990
formula: C32H64O2
inchikey: JVXJFNLEXLGQIO-UHFFFAOYSA-N
norman_susdat_id: NS00061844
pubchem_cid: 3017919
smiles: O=C(OCC(CCCCCC)CCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C32H64O2/c1-4-7-10-13-15-16-17-18-19-20-21-23-26-29-32(33)34-30-31(27-24-12-9-6-3)28-25-22-14-11-8-5-2/h31H,4-30H2,1-3H3


name: 2-octyldodecyl 2-ethylhexanoate
cas: 69275-04-3
dtxsid: DTXSID60988991
formula: C28H56O2
inchikey: ITPJXPXPEXDRLG-UHFFFAOYSA-N
norman_susdat_id: NS00063406
pubchem_cid: 53424751
smiles: O=C(OCC(CCCCCCCC)CCCCCCCCCC)C(CC)CCCC
inchi:
InChI=1/C28H56O2/c1-5-9-12-14-16-17-19-21-23-26(22-20-18-15-13-10-6-2)25-30-28(29)27(8-4)24-11-7-3/h26-27H,5-25H2,1-4H3


name: 5-(2-methoxy-5-phenylphenyl)-1??,2,5-thiadiazolidine-1,1,3-trione
cas: 692764-89-9
formula: C15H14N2O4S
inchikey: IGXKSKWHHHYBFM-UHFFFAOYSA-N
norman_susdat_id: NS00070224
pubchem_cid: 4369451
smiles: COc1ccc(-c2ccccc2)cc1N1CC(=O)NS1(=O)=O
inchi:
InChI=1S/C15H14N2O4S/c1-21-14-8-7-12(11-5-3-2-4-6-11)9-13(14)17-10-15(18)16-22(17,19)20/h2-9H,10H2,1H3,(H,16,18)


name: Diacetoxydiphenylplumbane
cas: 6928-68-3
formula: C16H16O4Pb
inchikey: SBXMABAVUXVYFZ-UHFFFAOYSA-L
norman_susdat_id: NS00080631
smiles: CC(=O)O[Pb](OC(=O)C)(c1ccccc1)c2ccccc2
inchi:
InChI=1/2C6H5.2C2H4O2.Pb/c2*1-2-4-6-5-3-1;2*1-2(3)4;/h2*1-5H;2*1H3,(H,3,4);/q;;;;+2/p-2/rC16H16O4Pb/c1-13(17)19-21(20-14(2)18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,1-2H3


cas: 69289-21-0
formula: C56H100NO4
norman_susdat_id: NS00101759
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(dimethyliminio)bis(2-hydroxy-3,1-propanediyl)]bis[.omega.-(2,4-dinonylphenoxy)-, chloride


cas: 69293-65-8
formula: C27H20N4O14S4
inchikey: BTSDIADYRCVWNV-UHFFFAOYSA-N
norman_susdat_id: NS00063409
pubchem_cid: 3017922
name:
2-[[8-[(4-aminobenzoyl)amino]-1-hydroxy-3,6-disulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid

inchi:
InChI=1/C27H20N4O14S4/c28-15-6-4-13(5-7-15)27(33)29-20-12-16(46(34,35)36)10-14-11-22(48(40,41)42)24(25(32)23(14)20)31-30-19-9-8-17-18(26(19)49(43,44)45)2-1-3-21(17)47(37,38)39/h1-12,32H,28H2,(H,29,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)

smiles:
O=C(NC1=CC(=CC=2C=C(C(N=NC3=CC=C4C(C=CC=C4S(=O)(=O)O)=C3S(=O)(=O)O)=C(O)C21)S(=O)(=O)O)S(=O)(=O)O)C5=CC=C(N)C=C5


name: Butylmagnesium chloride
cas: 693-04-9
formula: C4H9ClMg
inchikey: UUNGXYVLXYGZKH-UHFFFAOYSA-M
norman_susdat_id: NS00080002
smiles: [Cl-].CCCC[Mg+]
inchi:
InChI=1/C4H9.ClH.Mg/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q;;+1/p-1/rC4H9Mg.ClH/c1-2-3-4-5;/h2-4H2,1H3;1H/q+1;/p-1


name: Distearyl thiodipropionate
cas: 693-36-7
chemspiderid: 12215
dtxsid: DTXSID3027299
formula: C42H82O4S1
inchikey: PWWSSIYVTQUJQQ-UHFFFAOYSA-N
norman_susdat_id: NS00008146
pubchem_cid: 12738
smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C42H82O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3


name: OLEYL ACETATE
cas: 693-80-1
chebiid: CHEBI:134476
chemspiderid: 4515656
formula: C20H38O2
inchikey: GYGAZRPDUOHMAF-KHPPLWFESA-N
norman_susdat_id: NS00013921
pubchem_cid: 5363289
smiles: CCCCCCCCC=C/CCCCCCCCOC(C)=O
inchi:
InChI=1S/C20H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h10-11H,3-9,12-19H2,1-2H3/b11-10-


name: Brivudine
cas: 69304-47-8
chemspiderid: 394011
dtxsid: DTXSID0045755
formula: C11H13Br1N2O5
inchikey: ODZBBRURCPAEIQ-PIXDULNESA-N
norman_susdat_id: NS00001237
pubchem_cid: 446727
smiles: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C=CBr)c(=O)[nH]c1=O
inchi:
InChI=1S/C11H13BrN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h1-2,4,7-9,15-16H,3,5H2,(H,13,17,18)/b2-1+/t7-,8+,9+/m0/s1


name: 2-amino-4-[[5-chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl]amino]benzenesulphonic acid
cas: 69304-83-2
dtxsid: DTXSID80989026
formula: C12H13ClN4O5S2
inchikey: YLORVPRPNSWAQK-UHFFFAOYSA-N
norman_susdat_id: NS00063410
pubchem_cid: 3017924
smiles: O=S(=O)(O)C1=CC=C(C=C1N)NC2=NC(=NC(=C2Cl)C)S(=O)(=O)C
inchi:
InChI=1/C12H13ClN4O5S2/c1-6-10(13)11(17-12(15-6)23(2,18)19)16-7-3-4-9(8(14)5-7)24(20,21)22/h3-5H,14H2,1-2H3,(H,15,16,17)(H,20,21,22)


name: 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl butyrate
cas: 69306-85-0
chemspiderid: 4532054
dtxsid: DTXSID30219365
formula: C21H20O8
inchikey: ZRKHWLRSNPTLPH-UHFFFAOYSA-N
norman_susdat_id: NS00036828
pubchem_cid: 5384810
smiles: CCCC(=O)Oc1c2oc(c(O)c(=O)c2c(O)cc1OC)c1ccc(OC)cc1
inchi:
InChI=1S/C21H20O8/c1-4-5-15(23)28-20-14(27-3)10-13(22)16-17(24)18(25)19(29-21(16)20)11-6-8-12(26-2)9-7-11/h6-10,22,25H,4-5H2,1-3H3


name: Arvenin IV
cas: 69312-48-7
formula: C36H56O12
inchikey: NWOBCRRKTPFKMK-WQIUHJNMSA-N
norman_susdat_id: NS00094079
smiles:
[C@@H]1(C[C@H]2[C@]3([C@@H](CC=C2C(C)(C1=O)C)[C@]1([C@](CC3=O)(C([C@@H](C1)O)[C@@](C(=O)CCC(C)(C)O)(C)O)C)C)C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO


name: [3-(2-bicyclo[2.2.1]hept-2-ylphenoxy)-2-hydroxypropyl]isopropylammonium chloride
cas: 69319-47-7
dtxsid: DTXSID10989034
formula: C19H29NO2
inchikey: FTPYPDLGVVMWFU-UHFFFAOYSA-N
norman_susdat_id: NS00062347
pubchem_cid: 68863
smiles: [Cl-].OC(COC=1C=CC=CC1C2CC3CCC2C3)C[NH2+]C(C)C
inchi:
InChI=1/C19H29NO2.ClH/c1-13(2)20-11-16(21)12-22-19-6-4-3-5-17(19)18-10-14-7-8-15(18)9-14;/h3-6,13-16,18,20-21H,7-12H2,1-2H3;1H


name: Fluazifop (free acid)
cas: 69335-91-7
chebiid: CHEBI:83598
dtxsid: DTXSID3058163
inchikey: YUVKUEAFAVKILW-UHFFFAOYSA-N
norman_susdat_id: NS00073849
smiles: CC(OC1=CC=C(OC2=NC=C(C=C2)C(F)(F)F)C=C1)C(O)=O
inchi:
InChI=1/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)


name: 5-(2-anilinovinyl)-1-ethyl-3,4-dihydro-2H-pyrrolium iodide
cas: 69343-05-1
dtxsid: DTXSID70989050
formula: C14H19N2
inchikey: XISJNWVCRYHRFY-UHFFFAOYSA-N
norman_susdat_id: NS00063412
pubchem_cid: NA
smiles: [I-].C=1C=CC(=CC1)NC=CC2=[N+](CC)CCC2
inchi:
InChI=1/C14H18N2.HI/c1-2-16-12-6-9-14(16)10-11-15-13-7-4-3-5-8-13;/h3-5,7-8,10-11H,2,6,9,12H2,1H3;1H


name: (E,E)-[5-(4-methoxy-2,3,6-trimethylphenyl)-3-methyl-2,4-pentadienyl]triphenylphosphonium chloride
cas: 69365-97-5
formula: C34H36OP
inchikey: IWWUBWJZVZKCOG-NBXYOHPUSA-M
norman_susdat_id: NS00063432
pubchem_cid: NA
smiles: [Cl-].O(C=1C=C(C(C=CC(=CC[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4)C)=C(C1C)C)C)C
inchi:
InChI=1/C34H36OP.ClH/c1-26(21-22-33-27(2)25-34(35-5)29(4)28(33)3)23-24-36(30-15-9-6-10-16-30,31-17-11-7-12-18-31)32-19-13-8-14-20-32;/h6-23,25H,24H2,1-5H3;1H/q+1;/p-1


name: Octadecyl dihydrogen benzene-1,2,4-tricarboxylate
cas: 69373-08-6
dtxsid: DTXSID90989153
formula: C27H42O6
inchikey: YUSBCFKUFBHHNJ-UHFFFAOYSA-N
norman_susdat_id: NS00061900
pubchem_cid: 53470746
smiles: O=C(O)C1=CC=C(C(=O)OCCCCCCCCCCCCCCCCCC)C(=C1)C(=O)O
inchi:
InChI=1/C27H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-27(32)23-19-18-22(25(28)29)21-24(23)26(30)31/h18-19,21H,2-17,20H2,1H3,(H,28,29)(H,30,31)


name: Ethyl N-(3-ethoxy-3-oxopropyl)-N-(phenylmethyl)-ß-alaninate
cas: 6938-07-4
dtxsid: DTXSID80219471
formula: C17H25NO4
inchikey: RWQXNROEHRGDNP-UHFFFAOYSA-N
norman_susdat_id: NS00043807
pubchem_cid: 81354
smiles: O=C(OCC)CCN(CC=1C=CC=CC1)CCC(=O)OCC
inchi:
InChI=1/C17H25NO4/c1-3-21-16(19)10-12-18(13-11-17(20)22-4-2)14-15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3


name: Fenprostalene
cas: 69381-94-8
formula: C23H30O6
inchikey: BYNHBQROLKAEDQ-RIBIVJLWSA-N
norman_susdat_id: NS00061921
pubchem_cid: NA
smiles: O=C(OC)CCC=C=CCC1C(O)CC(O)C1C=CC(O)COC=2C=CC=CC2
inchi:
InChI=1/C23H30O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-22,24-26H,8,11-12,15-16H2,1H3


name: Tetrahydrofurfuryl stearate
cas: 6940-09-6
formula: C23H44O3
inchikey: RYQKMSDUKYBZSD-UHFFFAOYSA-N
norman_susdat_id: NS00043286
pubchem_cid: 97771
smiles: O=C(OCC1OCCC1)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(24)26-21-22-18-17-20-25-22/h22H,2-21H2,1H3


cas: 69402-09-1
formula: C45H86O8
norman_susdat_id: NS00101780
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 4-hydroxy-2H-pyran-3,3,5,5(4H,6H)-tetramethanol dioctanoate (3:1)


name: Fluvalinate
cas: 69409-94-5
chebiid: CHEBI:5135
chemspiderid: 45805
dtxsid: DTXSID7024110
formula: C26H22Cl1F3N2O3
inchikey: INISTDXBRIBGOC-UHFFFAOYSA-N
norman_susdat_id: NS00009151
pubchem_cid: 50516
smiles: CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1
inchi:
InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3


name: Sodium 2-[[4-(benzylethylamino)phenyl]azo]benzothiazole-5-sulphonate
cas: 69412-86-8
formula: C22H20N4O3S2
inchikey: YNVNZXQPHCJERC-UHFFFAOYSA-M
norman_susdat_id: NS00062403
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C=1C=CC=2SC(N=NC3=CC=C(C=C3)N(CC=4C=CC=CC4)CC)=NC2C1
inchi:
InChI=1/C22H20N4O3S2.Na/c1-2-26(15-16-6-4-3-5-7-16)18-10-8-17(9-11-18)24-25-22-23-20-14-19(31(27,28)29)12-13-21(20)30-22;/h3-14H,2,15H2,1H3,(H,27,28,29);/q;+1/p-1


name: 2H-1-Benzopyran-2-one, 7-(a-l-arabinopyranosyloxy)-4-methyl-
cas: 69414-26-2
chebiid: CHEBI:90130
formula: C15H16O7
inchikey: JWIYLOHVJDJZOQ-HPEDKQMDSA-N
norman_susdat_id: NS00090896
smiles: CC1=CC(=O)Oc2cc(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)ccc12
inchi:
InChI=1/C15H16O7/c1-7-4-12(17)22-11-5-8(2-3-9(7)11)21-15-14(19)13(18)10(16)6-20-15/h2-5,10,13-16,18-19H,6H2,1H3


name: 2-(4-Ethoxy-1-naphthyl)-4,6-bis-(trichloromethyl)-1,3,5-triazine
cas: 69432-41-3
chemspiderid: 10143948
dtxsid: DTXSID40219593
formula: C17H11Cl6N3O1
inchikey: NLNVSTLNDJGLTL-UHFFFAOYSA-N
norman_susdat_id: NS00036851
pubchem_cid: 11970565
smiles: CCOc1ccc(c2nc(nc(n2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)c2c1cccc2
inchi:
InChI=1S/C17H11Cl6N3O/c1-2-27-12-8-7-11(9-5-3-4-6-10(9)12)13-24-14(16(18,19)20)26-15(25-13)17(21,22)23/h3-8H,2H2,1H3


name: 2-(1,1'-Biphenyl)-4-yl-4,6-bis(trichloromethyl)-1,3,5-triazin-2-acetamide
cas: 69432-53-7
chemspiderid: 21167982
dtxsid: DTXSID00219594
formula: C19H14Cl6N4O1
inchikey: OXCZDXQUUAGXKD-UHFFFAOYSA-N
norman_susdat_id: NS00036852
pubchem_cid: 44146556
smiles: NC(=O)CC1(N=C(NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)c1ccc(cc1)c1ccccc1
inchi:
InChI=1S/C19H14Cl6N4O/c20-18(21,22)15-27-16(19(23,24)25)29-17(28-15,10-14(26)30)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H2,26,30)(H,27,28,29)


name: 3,9-Bis(isotridecyloxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro(5.5)undecane
cas: 69439-68-5
chemspiderid: 57509633
dtxsid: DTXSID50219600
formula: C31H62O6P2
inchikey: DLPYIYGAPYPKQX-UHFFFAOYSA-N
norman_susdat_id: NS00036854
pubchem_cid: 44154172
smiles: CC(C)CCCCCCCCCCOP1OCC2(CO1)COP(OCCCCCCCCCCC(C)C)OC2
inchi:
InChI=1S/C31H62O6P2/c1-29(2)21-17-13-9-5-7-11-15-19-23-32-38-34-25-31(26-35-38)27-36-39(37-28-31)33-24-20-16-12-8-6-10-14-18-22-30(3)4/h29-30H,5-28H2,1-4H3/t31-,38-,39-/m0/s1


cas: 69441-18-5
chebiid: CHEBI:7551
formula: C26H29N3O6.xClH
inchikey: AIKVCUNQWYTVTO-UHFFFAOYSA-N
norman_susdat_id: NS00090982
smiles: Cl.COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN(C)Cc3ccccc3)C
name:
2-[benzyl(methyl)amino]ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)pyridine-3,5-dicarboxylate hydrochloride

inchi:
InChI=1/C26H29N3O6.ClH/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19;/h5-12,15,24,27H,13-14,16H2,1-4H3;1H


name: 3-(4-cyclopropyl-6-methylpyrimidin-2-ylamino)phenol
cas: 694520-26-8
chemspiderid: NA
formula: C14H15N3O1
inchikey: IGDCKQUNQPOPEU-UHFFFAOYSA-N
norman_susdat_id: NS00014269
pubchem_cid: 85971930
smiles: Cc1cc(nc(Nc2cccc(O)c2)n1)C1CC1
inchi:
InChI=1S/C14H15N3O/c1-9-7-13(10-5-6-10)17-14(15-9)16-11-3-2-4-12(18)8-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,15,16,17)


name: 2-ethyl-4-methylpentyl (2,4,5-trichlorophenoxy)acetate
cas: 69462-12-0
dtxsid: DTXSID90867826
formula: C16H21Cl3O3
inchikey: FSXCVPNYCBTUSM-UHFFFAOYSA-N
norman_susdat_id: NS00062151
pubchem_cid: 50560
smiles: O=C(OCC(CC)CC(C)C)COC1=CC(Cl)=C(Cl)C=C1Cl
inchi:
InChI=1/C16H21Cl3O3/c1-4-11(5-10(2)3)8-22-16(20)9-21-15-7-13(18)12(17)6-14(15)19/h6-7,10-11H,4-5,8-9H2,1-3H3


cas: 69462-70-0
dtxsid: DTXSID70882996
norman_susdat_id: NS00111349
name:
Ethanesulfonyl fluoride, 1,1,2,2-tetrafluoro-2-[(1,2,2-trifluoroethenyl)oxy]-, polymer with 1,1,2,2-tetrafluoroethene


name: 2,3-dihydrophthalazine-1,4-dione dihydrazone monomethanesulphonate
cas: 69467-96-5
formula: C8H10N6.CH4O3S
inchikey: DRFCWYSGNDFNPW-UHFFFAOYSA-N
norman_susdat_id: NS00090987
smiles: CS(O)(=O)=O.NN=C1NNC(=NN)c2ccccc12
inchi:
InChI=1/C8H10N6.CH4O3S/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;1-5(2,3)4/h1-4H,9-10H2,(H,11,13)(H,12,14);1H3,(H,2,3,4)


cas: 69468-27-5
formula: C78H150O10
norman_susdat_id: NS00101749
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with D-glucitol (6:1), tetraoctadecanoate


name: 3-[butyl[4-[(4-nitrophenyl)azo]phenyl]amino]propiononitrile
cas: 69472-19-1
dtxsid: DTXSID70872054
formula: C19H22N5O2
inchikey: MVKMKUHSGHKEDT-UHFFFAOYSA-N
norman_susdat_id: NS00061966
pubchem_cid: 50576
smiles: N#CCCN(C1=CC=C(N=NC2=CC=C(C=C2)[N+](=O)[O-])C=C1)CCCC
inchi:
InChI=1/C19H21N5O2/c1-2-3-14-23(15-4-13-20)18-9-5-16(6-10-18)21-22-17-7-11-19(12-8-17)24(25)26/h5-12H,2-4,14-15H2,1H3


name: 614-977-1
cas: 69477-29-8
inchikey: OAQDGXAPIQSRMN-UHFFFAOYSA-N
norman_susdat_id: NS00078420
smiles:
Cc1ccc(cc1)S(O)(=O)=O.Cc1ccc(cc1)S(O)(=O)=O.Cc1ccc(cc1)S(O)(=O)=O.Cc1ccc(cc1)S(O)(=O)=O.OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO


name: 4-Hydroxy-alpha-(4-hydroxynaphthyl)-alpha-phenylnaphthalene-1-methanol
cas: 6948-88-5
chemspiderid: 73430
dtxsid: DTXSID70219703
formula: C27H20O3
inchikey: OUYLDJXFDLBCTQ-UHFFFAOYSA-N
norman_susdat_id: NS00036865
pubchem_cid: 81382
smiles: Oc1c2ccccc2c(cc1)C(O)(c1ccccc1)c1c2ccccc2c(O)cc1
inchi:
InChI=1S/C27H20O3/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(30,18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28-30H


name: 4,4'-(1,2-Ethanediylbis(oxy))bis(3,5-dichlorobenzoic) acid
cas: 69489-72-1
chemspiderid: 14761646
dtxsid: DTXSID40219710
formula: C16H10Cl4O6
inchikey: NDWFEBIZSZASBK-UHFFFAOYSA-N
norman_susdat_id: NS00036866
pubchem_cid: 20138434
smiles: OC(=O)c1cc(Cl)c(OCCOc2c(Cl)cc(cc2Cl)C(=O)O)c(Cl)c1
inchi:
InChI=1S/C16H10Cl4O6/c17-9-3-7(15(21)22)4-10(18)13(9)25-1-2-26-14-11(19)5-8(16(23)24)6-12(14)20/h3-6H,1-2H2,(H,21,22)(H,23,24)


name: N-(6-Aminohexyl)-D-gluconamide
cas: 69489-85-6
chemspiderid: 21167985
dtxsid: DTXSID00219711
formula: C12H26N2O6
inchikey: KMQNDXVFOHANIQ-CHWFTXMASA-N
norman_susdat_id: NS00036867
pubchem_cid: 56841525
smiles: NCCCCCCNC(=O)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1S/C12H26N2O6/c13-5-3-1-2-4-6-14-12(20)11(19)10(18)9(17)8(16)7-15/h8-11,15-19H,1-7,13H2,(H,14,20)/t8-,9+,10+,11+/m0/s1


name: Aleuritic Acid
cas: 6949-98-0
chemspiderid: 10334
dtxsid: DTXSID10878090
formula: C16H32O5
inchikey: MEHUJCGAYMDLEL-UHFFFAOYSA-N
norman_susdat_id: NS00013349
pubchem_cid: 10790
smiles: OCCCCCCC(O)C(O)CCCCCCCC(O)=O
inchi:
InChI=1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)


name: 2-(Heptafluoropropyl)-3-phenylquinoxaline
cas: 69492-70-2
dtxsid: DTXSID30896130
formula: C17H9F7N2
inchikey: YSCIJIDFVAKDBE-UHFFFAOYSA-N
norman_susdat_id: NS00110080
smiles: FC(F)(F)C(F)(F)C(F)(F)c1nc2ccccc2nc1-c1ccccc1
inchi:
InChI=1S/C17H9F7N2/c18-15(19,16(20,21)17(22,23)24)14-13(10-6-2-1-3-7-10)25-11-8-4-5-9-12(11)26-14/h1-9H


name: 5-MeO-DPT
cas: 69496-75-9
chemspiderid: 14106484
dtxsid: DTXSID70219723
formula: C17H26N2O1
inchikey: PNHPVNBKLQWBKH-UHFFFAOYSA-N
norman_susdat_id: NS00018001
pubchem_cid: 14011047
smiles: CCCN(CCC)CCC1=CNC2=C1C=C(C=C2)OC
inchi:
InChI=1S/C17H26N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h6-7,12-13,18H,4-5,8-11H2,1-3H3


cas: 69511-01-9
formula: C19H13ClN6O11S3
inchikey: PIYUPAFIPRFNDX-UHFFFAOYSA-K
norman_susdat_id: NS00063199
pubchem_cid: 135755620
name:
Trisodium 5-[(6-chloro-1,4-dihydro-4-oxo-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C19H13ClN6O11S3.3Na/c20-17-22-18(24-19(28)23-17)21-11-7-9(38(29,30)31)5-8-6-13(40(35,36)37)15(16(27)14(8)11)26-25-10-3-1-2-4-12(10)39(32,33)34;;;/h1-7,27H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H2,21,22,23,24,28);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1N=C(Cl)NC(=N1)NC2=CC(=CC3=CC(=C(N=NC=4C=CC=CC4S(=O)(=O)[O-])C(O)=C32)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: (Z)-N-octadecyl-9-octadecenamide
cas: 6952-63-2
formula: C36H71NO
inchikey: VZGOTNLOZGRSJA-ZZEZOPTASA-N
norman_susdat_id: NS00044384
pubchem_cid: 5355912
smiles: O=C(NCCCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C36H71NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-35H2,1-2H3,(H,37,38)


name: SDB-006
cas: 695213-59-3
chemspiderid: 1665835
dtxsid: DTXSID501009997
formula: C21H24N2O1
inchikey: OLACYTSBFXCDOH-UHFFFAOYSA-N
norman_susdat_id: NS00017630
pubchem_cid: 2227769
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)NCC3=CC=CC=C3
inchi:
InChI=1S/C21H24N2O/c1-2-3-9-14-23-16-19(18-12-7-8-13-20(18)23)21(24)22-15-17-10-5-4-6-11-17/h4-8,10-13,16H,2-3,9,14-15H2,1H3,(H,22,24)


name: (E)-1,4,5,6-tetrahydro-1-methyl-2-[2-(3-methyl-2-thienyl)vinyl]pyrimidinediylium hydrogen citrate
cas: 69525-81-1
formula: C12H16N2S.C6H8O7
inchikey: FDCYEQYTSABWFS-FXRZFVDSSA-M
norman_susdat_id: NS00090996
smiles: C[NH+]1CCC[NH2+]C1\C=C\c2sccc2C.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C12H18N2S.C6H8O7/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,9,12-13H,3,7-8H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-1


cas: 69531-49-3
dtxsid: DTXSID00883052
norman_susdat_id: NS00108928
name:
Butanoic acid, 2,2,3,3,4,4-hexafluoro-4-[(trifluorothenyl)oxy]-, sodium salt, polymer with tetrafluoroethene


name: Bis(dodecanoyloxy)didodecylstannane
cas: 69537-35-5
formula: C48H96O4Sn
inchikey: MBPHIRCSMZIBOE-UHFFFAOYSA-L
norman_susdat_id: NS00062172
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCC
inchi:
InChI=1/2C12H24O2.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*2-11H2,1H3,(H,13,14);2*1,3-12H2,2H3;/q;;;;+2/p-2/rC48H96O4Sn/c1-5-9-13-17-21-25-29-33-37-41-45-53(46-42-38-34-30-26-22-18-14-10-6-2,51-47(49)43-39-35-31-27-23-19-15-11-7-3)52-48(50)44-40-36-32-28-24-20-16-12-8-4/h5-46H2,1-4H3


name: BEHENOYL PG-TRIMO- NIUM CHLORIDE
cas: 69537-38-8
chemspiderid: 2285572
formula: C28H58N1O3
inchikey: GVFVUKOGNCJEDU-UHFFFAOYSA-N
norman_susdat_id: NS00013394
pubchem_cid: 3017944
smiles: [Cl-].CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)C[N+](C)(C)C
inchi:
InChI=1S/C28H58NO3.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(31)32-26-27(30)25-29(2,3)4;/h27,30H,5-26H2,1-4H3;1H/q+1;/p-1


name: Etintidine
cas: 69539-53-3
chemspiderid: 10608674
dtxsid: DTXSID40219795
formula: C12H16N6S1
inchikey: KEDVUOWPLAHMLZ-UHFFFAOYSA-N
norman_susdat_id: NS00036881
pubchem_cid: 150172
smiles: [Cl-].Cc1c(CSCCNC(=NCC#C)NC#N)nc[nH]1.[H+]
inchi:
InChI=1S/C12H16N6S/c1-3-4-14-12(16-8-13)15-5-6-19-7-11-10(2)17-9-18-11/h1,9H,4-7H2,2H3,(H,17,18)(H2,14,15,16)


name: Carbaprostacyclin
cas: 69552-46-1
chemspiderid: 4470761
formula: C21H34O4
inchikey: XZFRIPGNUQRGPI-WBQKLGIQSA-N
norman_susdat_id: NS00017062
pubchem_cid: 6436393
smiles: CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)C2)O)O
inchi:
InChI=1S/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7+/t16-,17-,18+,19-,20+/m0/s1


name: Thymopentin
cas: 69558-55-0
chemspiderid: 45859
dtxsid: DTXSID9046609
formula: C30H49N9O9
inchikey: PSWFFKRAVBDQEG-UHFFFAOYSA-N
norman_susdat_id: NS00008758
pubchem_cid: 50587
smiles: CC(C)C(NC(=O)C(CC(O)=O)NC(=O)C(CCCCN)NC(=O)C(N)CCCN=C(N)N)C(=O)NC(Cc1ccc(O)cc1)C(O)=O
inchi:
InChI=1S/C30H49N9O9/c1-16(2)24(28(46)38-22(29(47)48)14-17-8-10-18(40)11-9-17)39-27(45)21(15-23(41)42)37-26(44)20(7-3-4-12-31)36-25(43)19(32)6-5-13-35-30(33)34/h8-11,16,19-22,24,40H,3-7,12-15,31-32H2,1-2H3,(H,36,43)(H,37,44)(H,38,46)(H,39,45)(H,41,42)(H,47,48)(H4,33,34,35)


name: Benzenesulfonamide, N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-
cas: 69563-51-5
chemspiderid: 100653
dtxsid: DTXSID8071986
formula: C21H16N2O5S1
inchikey: ZUWHJJGOYZUNDW-UHFFFAOYSA-N
norman_susdat_id: NS00005786
pubchem_cid: 112289
smiles: COc1cc(NS(=O)(=O)c2ccccc2)c2C(=O)c3ccccc3C(=O)c2c1N
inchi:
InChI=1S/C21H16N2O5S/c1-28-16-11-15(23-29(26,27)12-7-3-2-4-8-12)17-18(19(16)22)21(25)14-10-6-5-9-13(14)20(17)24/h2-11,23H,22H2,1H3


cas: 69563-63-9
formula: C17H18N6
inchikey: NVIZTCGCGGSWMJ-UHFFFAOYSA-N
norman_susdat_id: NS00061617
pubchem_cid: 44146099
smiles: O=S(=O)(OCC)OCC.N=1N=C(N=NC2=CC=C(C=C2)N(C)CC=3C=CC=CC3)N(C1)C
name:
Diethyl sulphate, compound with N-methyl-N-[4-[(4-methyl-4H-1,2,4-triazol-3-yl)azo]phenyl]benzylamine (1:1)

inchi:
InChI=1/C17H18N6.C4H10O4S/c1-22(12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)19-21-17-20-18-13-23(17)2;1-3-7-9(5,6)8-4-2/h3-11,13H,12H2,1-2H3;3-4H2,1-2H3


name: 3,4-Dihydropapaverine
cas: 6957-27-3
chemspiderid: 20817
dtxsid: DTXSID50219827
formula: C20H23N1O4
inchikey: UCJDFFOXXPPGLJ-UHFFFAOYSA-N
norman_susdat_id: NS00036894
pubchem_cid: 22176
smiles: [Cl-].COc1cc2c(cc1OC)C(=[NH+]CC2)Cc1cc(OC)c(OC)cc1
inchi:
InChI=1S/C20H23NO4/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/h5-6,10-12H,7-9H2,1-4H3


cas: 69571-16-0
chemspiderid: 4891355
formula: C25H19Cl1N10O16S5
inchikey: XYSBLEIPPNYJEW-UHFFFAOYSA-N
norman_susdat_id: NS00040734
pubchem_cid: 6335656
name:
4-amino-6-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-3-[(2,5-disulphonatophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid

inchi:
InChI=1S/C25H19ClN10O16S5/c26-23-30-24(28)32-25(31-23)29-10-1-3-14(54(41,42)43)12(7-10)33-36-21-17(57(50,51)52)6-9-5-16(56(47,48)49)20(19(27)18(9)22(21)37)35-34-13-8-11(53(38,39)40)2-4-15(13)55(44,45)46/h1-8,33H,27H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H3,28,29,30,31,32)

smiles:
Nc1nc(Cl)nc(Nc2ccc(c(NN=C3C(=O)c4c(N)c(N=Nc5cc(ccc5S(O)(=O)=O)S(O)(=O)=O)c(cc4C=C3S(O)(=O)=O)S(O)(=O)=O)c2)S(O)(=O)=O)n1


name: 4,4'-bis[(4-methoxyphenyl)azo]stilbene-2,2'-disulphonic acid
cas: 69571-22-8
formula: C28H24N4O8S2
inchikey: ARNYAFUSKMSJTN-FPDVXUDYSA-N
norman_susdat_id: NS00090754
smiles: COc4ccc(N=Nc3ccc(/C=C/c2ccc(N=Nc1ccc(OC)cc1)cc2S(O)(=O)=O)c(c3)S(O)(=O)=O)cc4
inchi:
InChI=1/C28H24N4O8S2/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)


name: 6-Bromo-2-naphthyl beta-D-xylopyranoside
cas: 69594-75-8
chemspiderid: 2015682
dtxsid: DTXSID50219862
formula: C15H15Br1O5
inchikey: WHFCYXMRDUCMTI-BARDWOONSA-N
norman_susdat_id: NS00036897
pubchem_cid: 2733919
smiles: O[C@@H]1CO[C@@H](Oc2ccc3cc(Br)ccc3c2)[C@H](O)[C@H]1O
inchi:
InChI=1S/C15H15BrO5/c16-10-3-1-9-6-11(4-2-8(9)5-10)21-15-14(19)13(18)12(17)7-20-15/h1-6,12-15,17-19H,7H2/t12-,13+,14-,15+/m1/s1


name: N,N'-(Methylenedi-4,1-phenylene)bis(dibenzylamine)
cas: 69595-64-8
chemspiderid: NA
dtxsid: DTXSID10219863
formula: C41H38N2
inchikey: KXHTVRFSFOPBFV-UHFFFAOYSA-N
norman_susdat_id: NS00036898
pubchem_cid: 13627431
smiles: C(N(Cc1ccccc1)c1ccc(Cc2ccc(cc2)N(Cc2ccccc2)Cc2ccccc2)cc1)c1ccccc1
inchi:
InChI=1S/C41H38N2/c1-5-13-36(14-6-1)30-42(31-37-15-7-2-8-16-37)40-25-21-34(22-26-40)29-35-23-27-41(28-24-35)43(32-38-17-9-3-10-18-38)33-39-19-11-4-12-20-39/h1-28H,29-33H2


name: N-[2-[[2-hydroxy-3-[4-(phenylmethoxy)phenoxy]propyl]amino]ethyl]morpholine-4-carboxamide
cas: 69630-21-3
dtxsid: DTXSID80989743
formula: C23H31N3O5
inchikey: DINWMSNRUNFXQT-UHFFFAOYSA-N
norman_susdat_id: NS00061998
pubchem_cid: 3017949
smiles: O=C(NCCNCC(O)COC1=CC=C(OCC=2C=CC=CC2)C=C1)N3CCOCC3
inchi:
InChI=1/C23H31N3O5/c27-20(16-24-10-11-25-23(28)26-12-14-29-15-13-26)18-31-22-8-6-21(7-9-22)30-17-19-4-2-1-3-5-19/h1-9,20,24,27H,10-18H2,(H,25,28)


name: Pyrazino[2,3-b:5,6-b']diquinoxaline, 5,12-dihydro-
cas: 69637-93-0
chemspiderid: 150672
dtxsid: DTXSID8071988
formula: C16H10N6
inchikey: KJCRNHQXMXUTEB-UHFFFAOYSA-N
norman_susdat_id: NS00036905
pubchem_cid: 172414
smiles: [nH]1c2ccccc2[nH]c2nc3nc4ccccc4nc3nc12
inchi:
InChI=1S/C16H10N6/c1-2-6-10-9(5-1)17-13-14(18-10)22-16-15(21-13)19-11-7-3-4-8-12(11)20-16/h1-8H,(H,17,19,21)(H,18,20,22)


name: Oxoprostol
cas: 69648-40-4
formula: C22H32O4
inchikey: CQGDJYVHVNYIMQ-GHTZIAJQSA-N
norman_susdat_id: NS00062224
pubchem_cid: 71981
smiles: O=C(COC=1C=CC=CC1)CCC2CCC(=O)C2CCCCCCCO
inchi:
InChI=1/C22H32O4/c23-16-8-3-1-2-7-11-21-18(13-15-22(21)25)12-14-19(24)17-26-20-9-5-4-6-10-20/h4-6,9-10,18,21,23H,1-3,7-8,11-17H2


name: 2',3'-Dideoxyinosine
cas: 69655-05-6
chebiid: CHEBI:490877
chemspiderid: 45864
dtxsid: DTXSID6022927
formula: C10H12N4O3
inchikey: BXZVVICBKDXVGW-NKWVEPMBSA-N
norman_susdat_id: NS00000541
pubchem_cid: NA
smiles: O=C3/N=CNc1c3ncn1[C@@H]2O[C@@H](CC2)CO
inchi:
InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1


cas: 69658-24-8
formula: C23H19N3O6S.Na
inchikey: RHJUYISWNUOBLV-UHFFFAOYSA-M
norman_susdat_id: NS00090943
smiles: [Na+].CC(=O)Nc1cc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])ccc1C
name:
Sodium 4-[[3-(acetylamino)-4-methylphenyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C23H19N3O6S.Na/c1-11-7-8-13(9-16(11)25-12(2)27)26-17-10-18(33(30,31)32)21(24)20-19(17)22(28)14-5-3-4-6-15(14)23(20)29;/h3-10,26H,24H2,1-2H3,(H,25,27)(H,30,31,32);/q;+1/p-1


name: 4-(4-aminophenylazo)phenylarsonic acid
cas: 6966-64-9
formula: C12H12AsN3O3
inchikey: DOEADYYICZVJDD-UHFFFAOYSA-N
norman_susdat_id: NS00080572
smiles: O[As](O)(=O)c2ccc(N=Nc1ccc(N)cc1)cc2
inchi:
InChI=1/C12H12AsN3O3/c14-10-3-7-12(8-4-10)16-15-11-5-1-9(2-6-11)13(17,18)19/h1-8H,14H2,(H2,17,18,19)


name: 2,3,5-Trifluorotetrahydro-4-(pentafluoroethyl)-2,3,4,5-tetrakis(trifluoromethyl)furan
cas: 69661-30-9
chemspiderid: 2285580
dtxsid: DTXSID20880942
formula: C10F20O1
inchikey: ROKBKBIVJKPRAG-UHFFFAOYSA-N
norman_susdat_id: NS00011166
pubchem_cid: 3017953
smiles: O1C(F)(C(C(F)(C1(F)C(F)(F)F)C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C10F20O/c11-2(7(19,20)21)1(6(16,17)18,3(12,13)8(22,23)24)4(14,9(25,26)27)31-5(2,15)10(28,29)30


name: Sodium 8-aminonaphthalene-1,6-disulphonate
cas: 6967-48-2
formula: C10H9NO6S2.2Na
inchikey: GAEJRPAVSJPGAS-UHFFFAOYSA-L
norman_susdat_id: NS00080948
smiles: [Na+].[Na+].Nc1cc(cc2cccc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO6S2.2Na/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


name: 1-Propanone, 1-(4-dodecylphenyl)-2-hydroxy-2-methyl-
cas: 69673-80-9
chemspiderid: 100654
dtxsid: DTXSID3071989
formula: C22H36O2
inchikey: MLKIVXXYTZKNMI-UHFFFAOYSA-N
norman_susdat_id: NS00036915
pubchem_cid: 112290
smiles: CCCCCCCCCCCCc1ccc(cc1)C(=O)C(C)(C)O
inchi:
InChI=1S/C22H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)21(23)22(2,3)24/h15-18,24H,4-14H2,1-3H3


name: Sodium 2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)phenyl]propionate
cas: 69674-66-4
formula: C17H15NO3.Na
inchikey: VJRSTOCPCAPSSX-UHFFFAOYSA-M
norman_susdat_id: NS00091027
smiles: [Na+].CC(C(=O)[O-])c1ccc(cc1)N2Cc3ccccc3C2=O
inchi:
InChI=1/C17H15NO3.Na/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19;/h2-9,11H,10H2,1H3,(H,20,21);/q;+1/p-1


name: N,N'-dibenzyloxycarbonyl-L-cystine
cas: 6968-11-2
dtxsid: DTXSID10989832
formula: C22H24N2O8S2
inchikey: PTRQEEVKHMDMCF-ROUUACIJSA-N
norman_susdat_id: NS00044366
pubchem_cid: 385972
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)O)CSSCC(NC(=O)OCC=2C=CC=CC2)C(=O)O
inchi:
InChI=1/C22H24N2O8S2/c25-19(26)17(23-21(29)31-11-15-7-3-1-4-8-15)13-33-34-14-18(20(27)28)24-22(30)32-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,29)(H,24,30)(H,25,26)(H,27,28)


name: Diethyl sulphate, compound with N,N-diethyl-4-[(4-methyl-4H-1,2,4-triazol-3-yl)azo]aniline (1:1)
cas: 69680-03-1
formula: C13H18N6
inchikey: FJTYOGFBULARRR-UHFFFAOYSA-N
norman_susdat_id: NS00062225
pubchem_cid: 44147468
smiles: O=S(=O)(OCC)OCC.N=1N=C(N=NC2=CC=C(C=C2)N(CC)CC)N(C1)C
inchi:
InChI=1/C13H18N6.C4H10O4S/c1-4-19(5-2)12-8-6-11(7-9-12)15-17-13-16-14-10-18(13)3;1-3-7-9(5,6)8-4-2/h6-10H,4-5H2,1-3H3;3-4H2,1-2H3


name: Oleaside A
cas: 69686-84-6
chemspiderid: 101967001
formula: C30H44O7
inchikey: DFDVWAJDFYYBAC-SHUXUZSSSA-N
norman_susdat_id: NS00093819
pubchem_cid: 32815793
smiles:
C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@]45[C@@H]3CC[C@@](C4=O)([C@H](CC5)C6=CC(=O)OC6)C)C)OC)O


name: 9,10-Anthracenedione, 1-amino-4-[[3-[(dimethylamino)methyl]phenyl]amino]-, monohydrochloride
cas: 69695-75-6
chemspiderid: 145495
dtxsid: DTXSID7071991
formula: C23H21N3O2
inchikey: MBYMHMBWQCJXBL-UHFFFAOYSA-N
norman_susdat_id: NS00020698
pubchem_cid: 92031811
smiles: [Cl-].CN(C)Cc1cc(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(N)cc2)ccc1.[H+]
inchi:
InChI=1S/C23H21N3O2/c1-26(2)13-14-6-5-7-15(12-14)25-19-11-10-18(24)20-21(19)23(28)17-9-4-3-8-16(17)22(20)27/h3-12,25H,13,24H2,1-2H3


name: Sodium 4-[(4-amino-2,5-xylyl)azo]-m-xylene-5-sulphonate
cas: 6970-21-4
formula: C16H19N3O3S.Na
inchikey: YOCKGNZNWYDCPG-UHFFFAOYSA-M
norman_susdat_id: NS00080934
smiles: Cc1cc(C)c(N=Nc2cc(C)c(N)cc2C)c(c1)S(=O)(=O)O[Na]
inchi:
InChI=1/C16H19N3O3S.Na/c1-9-5-12(4)16(15(6-9)23(20,21)22)19-18-14-8-10(2)13(17)7-11(14)3;/h5-8H,17H2,1-4H3,(H,20,21,22);/q;+1/p-1/rC16H18N3NaO3S/c1-9-5-12(4)16(15(6-9)24(21,22)23-20)19-18-14-8-10(2)13(17)7-11(14)3/h5-8H,17H2,1-4H3


name: 4-(acetylamino)phenyl 3-methyl-o-acetylsalicylate
cas: 69705-27-7
dtxsid: DTXSID80219996
formula: C18H17NO5
inchikey: REKMYSBXOKPKAW-UHFFFAOYSA-N
norman_susdat_id: NS00062022
pubchem_cid: 11970570
smiles: O=C(OC1=CC=C(C=C1)NC(=O)C)C2=CC=CC(=C2OC(=O)C)C
inchi:
InChI=1/C18H17NO5/c1-11-5-4-6-16(17(11)23-13(3)21)18(22)24-15-9-7-14(8-10-15)19-12(2)20/h4-10H,1-3H3,(H,19,20)


name: 17-pentatriacontene
cas: 6971-40-0
dtxsid: DTXSID00881250
formula: C35H70
inchikey: BLCUZCCTSBVFSV-LAPDZXRHSA-N
norman_susdat_id: NS00096074
smiles: CCCCCCCCCCCCCCCCCC=CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C35H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,35H,3-32,34H2,1-2H3/b35-33+


name: 1,2-dihydro-3,4,5,6-tetraphenylphthalic anhydride
cas: 6971-41-1
dtxsid: DTXSID50989871
formula: C32H22O3
inchikey: SDIBWMJFIDQLCK-UHFFFAOYSA-N
norman_susdat_id: NS00043785
pubchem_cid: 96317
smiles: O=C1OC(=O)C2C(C=3C=CC=CC3)=C(C=4C=CC=CC4)C(C=5C=CC=CC5)=C(C=6C=CC=CC6)C12
inchi:
InChI=1/C32H22O3/c33-31-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(30(29)32(34)35-31)24-19-11-4-12-20-24/h1-20,29-30H


name: Cefotetan
cas: 69712-56-7
chemspiderid: 21167997
dtxsid: DTXSID1022762
formula: C17H17N7O8S4
inchikey: SRZNHPXWXCNNDU-RHBCBLIFSA-N
norman_susdat_id: NS00011561
pubchem_cid: 53025
smiles: Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C4SC(=C(C(=O)N)C(=O)O)S4)OC)SC2)C(=O)O
inchi:
InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h13,15H,3-4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/t13?,15-,17+/m1/s1


cas: 69723-86-0
formula: C19H13ClN8O10S2.2Na
inchikey: QVRFXMZQDWYBSU-UHFFFAOYSA-L
norman_susdat_id: NS00091038
name:
Disodium 5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C19H13ClN8O10S2.2Na/c20-17-23-18(21)25-19(24-17)22-11-6-9(39(33,34)35)3-7-4-13(40(36,37)38)15(16(30)14(7)11)27-26-10-5-8(28(31)32)1-2-12(10)29;;/h1-6,29-30H,(H,33,34,35)(H,36,37,38)(H3,21,22,23,24,25);;/q;2*+1/p-2

smiles:
[Na+].[Na+].Nc4nc(Nc3cc(cc2cc(c(N=Nc1cc(ccc1O)[N+]([O-])=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Cl)n4


cas: 69723-90-6
formula: C30H20ClN7O15S4
inchikey: NWQCKGOTFJELGD-UHFFFAOYSA-I
norman_susdat_id: NS00063251
pubchem_cid: NA
name:
Pentasodium 2-[[4-chloro-6-[[8-hydroxy-3,6-disulphonato-7-[(1-sulphonato-2-naphthyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphonatobenzoate

inchi:
InChI=1/C30H20ClN7O15S4.5Na/c31-28-34-29(32-19-8-6-15(54(42,43)44)11-18(19)27(40)41)36-30(35-28)33-21-12-16(55(45,46)47)9-14-10-22(56(48,49)50)24(25(39)23(14)21)38-37-20-7-5-13-3-1-2-4-17(13)26(20)57(51,52)53;;;;;/h1-12,39H,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,32,33,34,35,36);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(=CC=C1NC2=NC(Cl)=NC(=N2)NC3=CC(=CC4=CC(=C(N=NC=5C=CC=6C=CC=CC6C5S(=O)(=O)[O-])C(O)=C43)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]


name: (+)-Luguine
cas: 69735-28-0
chebiid: CHEBI:29
chemspiderid: 390775
dtxsid: DTXSID50331795
formula: C19H13NO5
inchikey: PKAFVNJHLLUZFP-CYBMUJFWSA-N
norman_susdat_id: NS00094732
pubchem_cid: 442317
smiles: O[C@@H]1CC2=CC3=C(OCO3)C=C2C2=NC=C3C4=C(OCO4)C=CC3=C12
inchi:
InChI=1S/C19H13NO5/c21-13-3-9-4-15-16(24-7-23-15)5-11(9)18-17(13)10-1-2-14-19(25-8-22-14)12(10)6-20-18/h1-2,4-6,13,21H,3,7-8H2/t13-/m1/s1


name: (R)-1,2,3,4,5,6,7,8-octahydro-1-(4-methoxybenzyl)isoquinolinium chloride
cas: 69735-34-8
formula: C17H23NO.ClH
inchikey: KPOHPPSNWPXYNT-UNTBIKODSA-N
norman_susdat_id: NS00091574
smiles: [Cl-].COc1ccc(C[C@H]2[NH2+]CCC3=C2CCCC3)cc1
inchi:
InChI=1/C17H23NO.ClH/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17;/h6-9,17-18H,2-5,10-12H2,1H3;1H


name: Cefodizime
cas: 69739-16-8
chemspiderid: 4882024
dtxsid: DTXSID2022757
formula: C20H20N6O7S4
inchikey: XDZKBRJLTGRPSS-ZSKFQXOHSA-N
norman_susdat_id: NS00002891
pubchem_cid: 6321412
smiles: CON=C(C(=O)N[C@H]1[C@H]2SCC(CSc3nc(C)c(CC(O)=O)s3)=C(N2C1=O)C(O)=O)c1csc(N)n1
inchi:
InChI=1S/C20H20N6O7S4/c1-7-10(3-11(27)28)37-20(22-7)36-5-8-4-34-17-13(16(30)26(17)14(8)18(31)32)24-15(29)12(25-33-2)9-6-35-19(21)23-9/h6,13,17H,3-5H2,1-2H3,(H2,21,23)(H,24,29)(H,27,28)(H,31,32)/b25-12+/t13-,17-/m1/s1


name: 1-O-acetyl-2,3,5-tri-O-benzoyl-ß-D-ribofuranose
cas: 6974-32-9
dtxsid: DTXSID40884346
formula: C28H24O9
inchikey: GCZABPLTDYVJMP-CBUXHAPBSA-N
norman_susdat_id: NS00043809
pubchem_cid: 81455
smiles: O=C(OCC1OC(OC(=O)C)C(OC(=O)C=2C=CC=CC2)C1OC(=O)C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C28H24O9/c1-18(29)34-28-24(37-27(32)21-15-9-4-10-16-21)23(36-26(31)20-13-7-3-8-14-20)22(35-28)17-33-25(30)19-11-5-2-6-12-19/h2-16,22-24,28H,17H2,1H3


name: Halofantrine
cas: 69756-53-2
chebiid: CHEBI:94392
chemspiderid: 34303
dtxsid: DTXSID0023119
formula: C26H30Cl2F3N1O1
inchikey: FOHHNHSLJDZUGQ-UHFFFAOYSA-N
norman_susdat_id: NS00003472
pubchem_cid: 37393
smiles: CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(ccc12)C(F)(F)F
inchi:
InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3


cas: 69761-19-9
norman_susdat_id: NS00113509
name:
Phenol, 4,4-(1-methylethylidene)bis-, polymer with 2,2-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bis[oxirane] and .alpha.-(oxiranylmethyl)-.omega.-(oxiranylmethoxy)poly[oxy(methyl-1,2-etha


name: Sodium 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonate
cas: 69762-08-9
formula: C16H13Cl2N5O3S.Na
inchikey: OBXIFFBDSGAAGZ-UHFFFAOYSA-M
norman_susdat_id: NS00091254
smiles: [Na+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc3c(C)nn(c2ccccc2)c3N
inchi:
InChI=1/C16H13Cl2N5O3S.Na/c1-9-15(16(19)23(22-9)10-5-3-2-4-6-10)21-20-13-7-12(18)14(8-11(13)17)27(24,25)26;/h2-8H,19H2,1H3,(H,24,25,26);/q;+1/p-1


name: 2-[2-(4-chlorophenoxy)acetamido]benzoic acid
cas: 69764-09-6
formula: C15H12ClNO4
inchikey: LXSDGQYDSDIUPN-UHFFFAOYSA-N
norman_susdat_id: NS00068214
smiles: O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)O
inchi:
InChI=1S/C15H12ClNO4/c16-10-5-7-11(8-6-10)21-9-14(18)17-13-4-2-1-3-12(13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)


name: 3-[ethyl[3-methyl-4-[(5-nitrothiazol-2-yl)azo]phenyl]amino]propane-1,2-diol
cas: 69766-79-6
dtxsid: DTXSID20864323
formula: C15H20N5O4S
inchikey: COCWIIAFGQLMGS-UHFFFAOYSA-N
norman_susdat_id: NS00061461
pubchem_cid: 112153
smiles: O=[N+]([O-])C=1SC(N=NC2=CC=C(C=C2C)N(CC)CC(O)CO)=NC1
inchi:
InChI=1/C15H19N5O4S/c1-3-19(8-12(22)9-21)11-4-5-13(10(2)6-11)17-18-15-16-7-14(25-15)20(23)24/h4-7,12,21-22H,3,8-9H2,1-2H3


name: 3-methyl-2-[2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]benzothiazolium bromide
cas: 69766-80-9
formula: C21H21N2S2.Br
inchikey: YGIDDLBDMNEECL-UHFFFAOYSA-M
norman_susdat_id: NS00090559
smiles: [Br-].C[n+]3c4ccccc4sc3C=C(CC)C=C2Sc1ccccc1N2C
inchi:
InChI=1/C21H21N2S2.BrH/c1-4-15(13-20-22(2)16-9-5-7-11-18(16)24-20)14-21-23(3)17-10-6-8-12-19(17)25-21;/h5-14H,4H2,1-3H3;1H/q+1;/p-1


name: Flumethrin
cas: 69770-45-2
chemspiderid: 4785776
dtxsid: DTXSID8058166
formula: C28H22Cl2F1N1O3
inchikey: YXWCBRDRVXHABN-JCMHNJIXSA-N
norman_susdat_id: NS00006300
pubchem_cid: 6033664
smiles: CC1(C)C(C=C(/Cl)c2ccc(Cl)cc2)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1
inchi:
InChI=1S/C28H22Cl2FNO3/c1-28(2)21(15-22(30)17-8-11-19(29)12-9-17)26(28)27(33)35-25(16-32)18-10-13-23(31)24(14-18)34-20-6-4-3-5-7-20/h3-15,21,25-26H,1-2H3/b22-15-


name: Elvitegravir
cas: 697761-98-1
chemspiderid: 4441060
formula: C23H23Cl1F1N1O5
inchikey: JUZYLCPPVHEVSV-UHFFFAOYSA-N
norman_susdat_id: NS00040665
pubchem_cid: 5277135
smiles: COc1cc2n(cc(C(O)=O)c(=O)c2cc1Cc1cccc(Cl)c1F)C(CO)C(C)C
inchi:
InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)


name: (S)-p-(2-methylbutyl)phenyl p-(hexyloxy)benzoate
cas: 69777-59-9
dtxsid: DTXSID70887668
formula: C24H32O3
inchikey: GRCRRVLEAGHZGB-IBGZPJMESA-N
norman_susdat_id: NS00061462
pubchem_cid: 21118871
smiles: O=C(OC1=CC=C(C=C1)CC(C)CC)C2=CC=C(OCCCCCC)C=C2
inchi:
InChI=1/C24H32O3/c1-4-6-7-8-17-26-22-15-11-21(12-16-22)24(25)27-23-13-9-20(10-14-23)18-19(3)5-2/h9-16,19H,4-8,17-18H2,1-3H3


name: p-(2-methylbutyl)phenyl (S)-4-(decyloxy)benzoate
cas: 69777-63-5
dtxsid: DTXSID40887670
formula: C28H40O3
inchikey: AXTSICLPKIDIMY-QHCPKHFHSA-N
norman_susdat_id: NS00062695
pubchem_cid: 21118873
smiles: O=C(OC1=CC=C(C=C1)CC(C)CC)C2=CC=C(OCCCCCCCCCC)C=C2
inchi:
InChI=1/C28H40O3/c1-4-6-7-8-9-10-11-12-21-30-26-19-15-25(16-20-26)28(29)31-27-17-13-24(14-18-27)22-23(3)5-2/h13-20,23H,4-12,21-22H2,1-3H3


name: (S)-p-(2-methylbutyl)phenyl p-pentylbenzoate
cas: 69777-64-6
dtxsid: DTXSID00887671
formula: C23H30O2
inchikey: YCZTXNHTLUKHQL-SFHVURJKSA-N
norman_susdat_id: NS00061463
pubchem_cid: 21118874
smiles: O=C(OC1=CC=C(C=C1)CC(C)CC)C2=CC=C(C=C2)CCCCC
inchi:
InChI=1/C23H30O2/c1-4-6-7-8-19-9-13-21(14-10-19)23(24)25-22-15-11-20(12-16-22)17-18(3)5-2/h9-16,18H,4-8,17H2,1-3H3


name: (S)-4-(2-methylbutyl)phenyl 4'-heptyl[1,1'-biphenyl]-4-carboxylate
cas: 69777-71-5
dtxsid: DTXSID60887672
formula: C31H38O2
inchikey: OFPKTMNHQRPVJW-DEOSSOPVSA-N
norman_susdat_id: NS00062696
pubchem_cid: 21118875
smiles: O=C(OC1=CC=C(C=C1)CC(C)CC)C=2C=CC(=CC2)C3=CC=C(C=C3)CCCCCCC
inchi:
InChI=1/C31H38O2/c1-4-6-7-8-9-10-25-11-15-27(16-12-25)28-17-19-29(20-18-28)31(32)33-30-21-13-26(14-22-30)23-24(3)5-2/h11-22,24H,4-10,23H2,1-3H3


name: Avilamycin C
cas: 69787-80-0
chemspiderid: 16736581
dtxsid: DTXSID60220080
formula: C61H90Cl2O32
inchikey: AEIFATUAVHHRBC-GYPCSUJESA-N
norman_susdat_id: NS00011835
pubchem_cid: 20055307
inchi:
InChI=1S/C61H90Cl2O32/c1-21(2)53(70)87-49-45-32(92-61(93-45)52-51(78-20-79-52)60(72,27(8)64)28(9)91-61)19-77-56(49)89-57-48(76-14)39(68)44(31(83-57)18-73-11)88-55-40(69)47(43(74-12)24(5)82-55)85-34-17-58(10)50(26(7)81-34)94-59(95-58)16-30(66)42(25(6)90-59)84-33-15-29(65)41(23(4)80-33)86-54(71)35-22(3)36(62)38(67)37(63)46(35)75-13/h21,23-34,39-45,47-52,55-57,64-69,72H,15-20H2,1-14H3/t23-,24-,25-,26-,27?,28-,29-,30-,31-,32+,33+,34+,39+,40-,41-,42-,43+,44-,45-,47-,48+,49-,50-,51-,52-,55+,56+,57+,58-,59?,60+,61-/m1/s1

smiles:
Cc1c(c(c(c(c1Cl)O)Cl)OC)C(=O)O[C@@H]2[C@H](O[C@H](C[C@H]2O)O[C@@H]3[C@H](OC4(C[C@H]3O)O[C@@H]5[C@H](O[C@H](C[C@]5(O4)C)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)C)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)[C@H]2[C@H]([C@@]([C@H](O1)C)(C(C)O)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C


name: Triacetylguanosine
cas: 6979-94-8
chemspiderid: 58675
dtxsid: DTXSID20220081
formula: C16H19N5O8
inchikey: ULXDFYDZZFYGIY-SDBHATRESA-N
norman_susdat_id: NS00036954
pubchem_cid: 65173
smiles: CC(=O)OCC1OC(C(OC(=O)C)C1OC(=O)C)n1cnc2c1[nH]c(N)nc2=O
inchi:
InChI=1S/C16H19N5O8/c1-6(22)26-4-9-11(27-7(2)23)12(28-8(3)24)15(29-9)21-5-18-10-13(21)19-16(17)20-14(10)25/h5,9,11-12,15H,4H2,1-3H3,(H3,17,19,20,25)/t9-,11-,12+,15+/m0/s1


name: Thymidine 3',5'-diacetate
cas: 6979-97-1
formula: C14H18N2O7
inchikey: RGVBNBFNSBMXID-QJPTWQEYSA-N
norman_susdat_id: NS00080597
smiles: CC(=O)OC[C@H]1O[C@H](C[C@@H]1OC(=O)C)N2C=C(C)C(=O)NC2=O
inchi:
InChI=1/C14H18N2O7/c1-7-5-16(14(20)15-13(7)19)12-4-10(22-9(3)18)11(23-12)6-21-8(2)17/h5,10-12H,4,6H2,1-3H3,(H,15,19,20)


name: 3-(2-nitrovinyl)-5-(phenylmethoxy)-1H-indole
cas: 69796-46-9
formula: C17H15N2O3
inchikey: VHFAFPNKRNJZPV-CMDGGOBGSA-N
norman_susdat_id: NS00062697
pubchem_cid: 5984843
smiles: O=[N+]([O-])C=CC1=CNC=2C=CC(OCC=3C=CC=CC3)=CC12
inchi:
InChI=1/C17H14N2O3/c20-19(21)9-8-14-11-18-17-7-6-15(10-16(14)17)22-12-13-4-2-1-3-5-13/h1-11,18H,12H2


name: 1,3-diacetoxy-1,1,3,3-tetraoctyldistannoxane
cas: 69799-37-7
dtxsid: DTXSID20220086
formula: C36H74O5Sn2
inchikey: PWFYHTTWTFQSLE-UHFFFAOYSA-L
norman_susdat_id: NS00061464
pubchem_cid: 19370781
smiles: O=C(O[Sn](O[Sn](OC(=O)C)(CCCCCCCC)CCCCCCCC)(CCCCCCCC)CCCCCCCC)C
inchi:
InChI=1/4C8H17.2C2H4O2.O.2Sn/c4*1-3-5-7-8-6-4-2;2*1-2(3)4;;;/h4*1,3-8H2,2H3;2*1H3,(H,3,4);;;/q;;;;;;;2*+1/p-2/rC36H74O5Sn2/c1-7-11-15-19-23-27-31-42(39-35(5)37,32-28-24-20-16-12-8-2)41-43(40-36(6)38,33-29-25-21-17-13-9-3)34-30-26-22-18-14-10-4/h7-34H2,1-6H3


name: 3ß,5,14,16ß-tetrahydroxy-19-oxo-5ßcard-20(22)-enolide 16-acetate
cas: 6980-15-0
dtxsid: DTXSID30990061
formula: C25H34O8
inchikey: DLFGUBFPQASQRQ-UHFFFAOYSA-N
norman_susdat_id: NS00044443
pubchem_cid: NA
smiles: O=CC12CCC(O)CC2(O)CCC3C1CCC4(C)C(C5=CC(=O)OC5)C(OC(=O)C)CC34O
inchi:
InChI=1/C25H34O8/c1-14(27)33-19-11-25(31)18-5-8-24(30)10-16(28)3-7-23(24,13-26)17(18)4-6-22(25,2)21(19)15-9-20(29)32-12-15/h9,13,16-19,21,28,30-31H,3-8,10-12H2,1-2H3


cas: 69804-18-8
dtxsid: DTXSID80887674
formula: C8H2F13NO3
inchi: InChI=1/C8H2F13NO3/c9-1(10)2(11)24-8(20,21)5(14,6(15,16)17)25-7(18,19)4(12,13)3(22)23/h(H2,22,23)
inchikey: RSZYMGFUGQKOOL-UHFFFAOYSA-N
norman_susdat_id: NS00111694
smiles: NC(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F
name:
Propanamide, 3-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro-


name: 4,4'-bis[(2-hydroxyethyl)methylamino]benzophenone
cas: 69804-48-4
dtxsid: DTXSID60990074
formula: C19H24N2O3
inchikey: SVIDPUWUNCALBH-UHFFFAOYSA-N
norman_susdat_id: NS00061703
pubchem_cid: 2818089
smiles: O=C(C1=CC=C(C=C1)N(C)CCO)C2=CC=C(C=C2)N(C)CCO
inchi:
InChI=1/C19H24N2O3/c1-20(11-13-22)17-7-3-15(4-8-17)19(24)16-5-9-18(10-6-16)21(2)12-14-23/h3-10,22-23H,11-14H2,1-2H3


name: Haloxyfop
cas: 69806-34-4
chebiid: CHEBI:136694
dtxsid: DTXSID7042019
formula: C15H11ClF3NO4
inchikey: GOCUAJYOYBLQRH-UHFFFAOYSA-N
norman_susdat_id: NS00066824
pubchem_cid: 50895
smiles: CC(OC1=CC=C(OC2=NC=C(C=C2Cl)C(F)(F)F)C=C1)C(O)=O
inchi:
InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)


name: Haloxyfop-methyl
cas: 69806-40-2
chebiid: CHEBI:136720
chemspiderid: 46141
dtxsid: DTXSID6024123
formula: C16H13Cl1F3N1O4
inchikey: MFSWTRQUCLNFOM-UHFFFAOYSA-N
norman_susdat_id: NS00001997
pubchem_cid: 50896
smiles: COC(=O)C(C)Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1
inchi:
InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3


name: Ethyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate
cas: 69806-42-4
chemspiderid: 46140
dtxsid: DTXSID70548984
formula: C15H11Cl1F3N1O4
inchikey: GOCUAJYOYBLQRH-UHFFFAOYSA-M
norman_susdat_id: NS00008149
pubchem_cid: 21466987
smiles: CC(Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1)C([O-])=O
inchi:
InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)/p-1


name: Fluazifop-butyl
cas: 69806-50-4
chebiid: CHEBI:132963
chemspiderid: 46142
dtxsid: DTXSID3034612
formula: C19H20F3N1O4
inchikey: VAIZTNZGPYBOGF-UHFFFAOYSA-N
norman_susdat_id: NS00000512
pubchem_cid: 50897
smiles: O=C(OCCCC)C(Oc2ccc(Oc1ncc(cc1)C(F)(F)F)cc2)C
inchi:
InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3


name: 3-Pyridinecarbonitrile, 1-butyl-5-[(4-chlorophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
cas: 69808-32-8
chemspiderid: 21168004
dtxsid: DTXSID9041493
formula: C17H17Cl1N4O2
inchikey: DLTLEIUQPDJNQM-QZQOTICOSA-N
norman_susdat_id: NS00036956
pubchem_cid: NA
smiles: CCCCN1C(=O)/C(=N/Nc2ccc(Cl)cc2)/C(=C(C#N)C1=O)C
inchi:
InChI=1S/C17H17ClN4O2/c1-3-4-9-22-16(23)14(10-19)11(2)15(17(22)24)21-20-13-7-5-12(18)6-8-13/h5-8,20H,3-4,9H2,1-2H3/b21-15+


name: Ormetoprim
cas: 6981-18-6
chebiid: CHEBI:94553
chemspiderid: 21899
dtxsid: DTXSID1046689
formula: C14H18N4O2
inchikey: KEEYRKYKLYARHO-UHFFFAOYSA-N
norman_susdat_id: NS00011646
pubchem_cid: 23418
smiles: Cc1cc(c(cc1Cc2c[nH]c(=N)[nH]c2=N)OC)OC
inchi:
InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)


name: 2-Naphthalenecarboxamide, 3-hydroxy-4-[(4-methoxy-2-nitrophenyl)azo]-N-(3-nitrophenyl)-
cas: 69815-56-1
chemspiderid: 7851033
dtxsid: DTXSID7071995
formula: C24H17N5O7
inchikey: MQAMWDWKDQDPIQ-UHFFFAOYSA-N
norman_susdat_id: NS00036959
pubchem_cid: NA
smiles: COc1cc(c(N/N=C/2C(=O)C(=Cc3ccccc23)C(=O)Nc2cc(ccc2)[N+](=O)[O-])cc1)[N+](=O)[O-]
inchi:
InChI=1S/C24H17N5O7/c1-36-17-9-10-20(21(13-17)29(34)35)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: Tris(3,7-dimethyloct-6-enyl)aluminium
cas: 6982-94-1
formula: C30H57Al
inchikey: MDEQTZWVOFXNBY-UHFFFAOYSA-N
norman_susdat_id: NS00081272
smiles: CC(CCC=C(C)C)CC[Al](CCC(C)CCC=C(C)C)CCC(C)CCC=C(C)C
inchi:
InChI=1/3C10H19.Al/c3*1-5-10(4)8-6-7-9(2)3;/h3*7,10H,1,5-6,8H2,2-4H3;/rC30H57Al/c1-25(2)13-10-16-28(7)19-22-31(23-20-29(8)17-11-14-26(3)4)24-21-30(9)18-12-15-27(5)6/h13-15,28-30H,10-12,16-24H2,1-9H3


name: 3-[[4-[(2-chloro-4,6-dinitrophenyl)azo]naphthyl]amino]propane-1,2-diol
cas: 69828-87-1
dtxsid: DTXSID40887675
formula: C19H18ClN5O6
inchikey: XDBOSNLBUUIWCY-UHFFFAOYSA-N
norman_susdat_id: NS00063089
pubchem_cid: 158977
smiles: O=[N+]([O-])C1=CC(Cl)=C(N=NC2=CC=C(NCC(O)CO)C=3C=CC=CC23)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C19H16ClN5O6/c20-15-7-11(24(28)29)8-18(25(30)31)19(15)23-22-17-6-5-16(21-9-12(27)10-26)13-3-1-2-4-14(13)17/h1-8,12,21,26-27H,9-10H2


name: Bixin
cas: 6983-79-5
chebiid: CHEBI:3136
chemspiderid: 5020633
dtxsid: DTXSID1024629
formula: C25H30O4
inchikey: RAFGELQLHMBRHD-SLEZCNMESA-N
norman_susdat_id: NS00019918
pubchem_cid: 5281226
smiles: COC(=O)/C=C/C=C(C)/C=C/C=C(C)/C=CC=C(/C)C=C/C=C(/C)C=C/C(=O)O
inchi:
InChI=1S/C25H30O4/c1-20(12-7-13-22(3)16-9-17-25(28)29-5)10-6-11-21(2)14-8-15-23(4)18-19-24(26)27/h6-19H,1-5H3,(H,26,27)/b10-6-,13-7+,14-8-,17-9+,19-18-,20-12+,21-11+,22-16+,23-15-


name: Decylphenoxybenzene
cas: 69834-17-9
dtxsid: DTXSID4028969
formula: C22H30O
inchikey: KBSXNNPVWLOKRF-UHFFFAOYSA-N
norman_susdat_id: NS00061810
pubchem_cid: 13847946
smiles: O(C=1C=CC=CC1)C=2C=CC=CC2CCCCCCCCCC
inchi:
InChI=1/C22H30O/c1-2-3-4-5-6-7-8-10-15-20-16-13-14-19-22(20)23-21-17-11-9-12-18-21/h9,11-14,16-19H,2-8,10,15H2,1H3


name: 4,4'-oxybis[decylbenzenesulphonic] acid
cas: 69834-22-6
dtxsid: DTXSID00990098
formula: C32H50O7S2
inchikey: GPLSETFOKIMUQT-UHFFFAOYSA-N
norman_susdat_id: NS00063090
pubchem_cid: NA
smiles: O=S(=O)(O)C1=CC=C(OC2=CC=C(C(=C2)CCCCCCCCCC)S(=O)(=O)O)C=C1CCCCCCCCCC
inchi:
InChI=1/C32H50O7S2/c1-3-5-7-9-11-13-15-17-19-27-25-29(21-23-31(27)40(33,34)35)39-30-22-24-32(41(36,37)38)28(26-30)20-18-16-14-12-10-8-6-4-2/h21-26H,3-20H2,1-2H3,(H,33,34,35)(H,36,37,38)


name: Diammonium dodecyl-4-(4-sulphonatophenoxy)benzenesulphonate
cas: 69834-23-7
formula: C24H34O7S2.2H3N
inchikey: BDEGCBYFVTXJKF-UHFFFAOYSA-N
norman_susdat_id: NS00090938
smiles: [NH4+].[NH4+].CCCCCCCCCCCCc1cc(Oc2ccc(cc2)S(=O)(=O)[O-])ccc1S(=O)(=O)[O-]
inchi:
InChI=1/C24H34O7S2.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-20-19-22(15-18-24(20)33(28,29)30)31-21-13-16-23(17-14-21)32(25,26)27;;/h13-19H,2-12H2,1H3,(H,25,26,27)(H,28,29,30);2*1H3


name: Neratinib
cas: 698387-09-6
chebiid: CHEBI:61397
dtxsid: DTXSID70220132
formula: C30H29ClN6O3
inchikey: JWNPDZNEKVCWMY-VQHVLOKHSA-N
norman_susdat_id: NS00069565
pubchem_cid: 9915743
smiles: CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C
inchi:
InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+


name: Carbonic acid, 4-[[2-amino-4-[(1-oxooctadecyl)amino]phenyl]amino]phenyl ethyl ester
cas: 69847-37-6
chemspiderid: 100672
dtxsid: DTXSID7071997
formula: C33H51N3O4
inchikey: MZZZZSLFQVXKTG-UHFFFAOYSA-N
norman_susdat_id: NS00036964
pubchem_cid: 112310
smiles: CCCCCCCCCCCCCCCCCC(=O)Nc1cc(N)c(Nc2ccc(OC(=O)OCC)cc2)cc1
inchi:
InChI=1S/C33H51N3O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32(37)36-28-22-25-31(30(34)26-28)35-27-20-23-29(24-21-27)40-33(38)39-4-2/h20-26,35H,3-19,34H2,1-2H3,(H,36,37)


name: Phthalic acid, compound with N,N-diethylaniline (1:1)
cas: 69847-39-8
formula: C10H15N.C8H6O4
inchikey: RJILSGJGSRJKDS-UHFFFAOYSA-N
norman_susdat_id: NS00091482
smiles: CCN(CC)c1ccccc1.OC(=O)c2ccccc2C(=O)O
inchi:
InChI=1/C10H15N.C8H6O4/c1-3-11(4-2)10-8-6-5-7-9-10;9-7(10)5-3-1-2-4-6(5)8(11)12/h5-9H,3-4H2,1-2H3;1-4H,(H,9,10)(H,11,12)


name: Disodium L-tyrosinate
cas: 69847-45-6
formula: C9H11NO3.2Na
inchikey: LLWMGDGDBQDPSI-OWJCAWTQSA-L
norman_susdat_id: NS00090939
smiles: [Na+].[Na+].N[C@@H](Cc1ccc(O)cc1)C(=O)[O-].N[C@@H](Cc2ccc(O)cc2)C(=O)[O-]
inchi:
InChI=1/2C9H11NO3.2Na/c2*10-8(9(12)13)5-6-1-3-7(11)4-2-6;;/h2*1-4,8,11H,5,10H2,(H,12,13);;/q;;2*+1/p-2


name: Dipotassium 14-(p-tolyloxy)-3,6,9,12-tetraoxatetradecyl phosphate
cas: 69847-46-7
dtxsid: DTXSID7071999
formula: C17H29O9P
inchikey: BFCKMASTLWXQBI-UHFFFAOYSA-L
norman_susdat_id: NS00062015
pubchem_cid: 112312
smiles: [K+].[K+].O=P([O-])([O-])OCCOCCOCCOCCOCCOC1=CC=C(C=C1)C
inchi:
InChI=1/C17H29O9P.2K/c1-16-2-4-17(5-3-16)25-14-12-23-10-8-21-6-7-22-9-11-24-13-15-26-27(18,19)20;;/h2-5H,6-15H2,1H3,(H2,18,19,20);;/q;2*+1/p-2


name: Sodium 3-[[4-acetamidophenyl]azo]-4-amino-5-hydroxynaphthalene-1-sulphonate
cas: 69847-52-5
dtxsid: DTXSID6072003
formula: C18H16N4O5S
inchikey: UGMILUCNPDSVEJ-UHFFFAOYSA-M
norman_susdat_id: NS00063102
pubchem_cid: NA
smiles: [Na+].O=C(NC1=CC=C(N=NC=2C=C(C=3C=CC=C(O)C3C2N)S(=O)(=O)[O-])C=C1)C
inchi:
InChI=1/C18H16N4O5S.Na/c1-10(23)20-11-5-7-12(8-6-11)21-22-14-9-16(28(25,26)27)13-3-2-4-15(24)17(13)18(14)19;/h2-9,24H,19H2,1H3,(H,20,23)(H,25,26,27);/q;+1/p-1


cas: 6985-92-8
dtxsid: DTXSID6064539
formula: C26H19N5O5
inchikey: IESSXLDTYTXHDL-UHFFFAOYSA-N
norman_susdat_id: NS00044013
pubchem_cid: 81468
smiles: O=C(OC)C=1C=CC=CC1N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC4=CC=C5NC(=O)NC5=C4
name:
Benzoic acid, 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]azo]-, methyl ester

inchi:
InChI=1/C26H19N5O5/c1-36-25(34)17-8-4-5-9-19(17)30-31-22-16-7-3-2-6-14(16)12-18(23(22)32)24(33)27-15-10-11-20-21(13-15)29-26(35)28-20/h2-13,32H,1H3,(H,27,33)(H2,28,29,35)


cas: 6985-95-1
chemspiderid: 7850403
dtxsid: DTXSID5064540
formula: C25H18N6O6
inchikey: HECMZBWRWWVBJI-UHFFFAOYSA-N
norman_susdat_id: NS00020875
pubchem_cid: NA
smiles: COc1c(N/N=C/2C(=O)C(=Cc3ccccc23)C(=O)Nc2cc3c([nH]c(=O)[nH]3)cc2)ccc(c1)[N+](=O)[O-]
name:
2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[(2-methoxy-4-nitrophenyl)azo]-

inchi:
InChI=1S/C25H18N6O6/c1-37-21-12-15(31(35)36)7-9-19(21)29-30-22-16-5-3-2-4-13(16)10-17(23(22)32)24(33)26-14-6-8-18-20(11-14)28-25(34)27-18/h2-12,29H,1H3,(H,26,33)(H2,27,28,34)/b30-22-


cas: 69851-61-2
chemspiderid: 100680
dtxsid: DTXSID7052442
formula: C37H58N2O4
inchikey: KJEKRODBOPOEGG-UHFFFAOYSA-N
norman_susdat_id: NS00036966
pubchem_cid: 112321
smiles: CC(C)(C)c1cc(CCC(=O)NCCCNC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
name:
N-[2-(3,5-Di-tert-butyl-4-hydroxyphenyl)ethyl]-5-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]amino}pentanamide

inchi:
InChI=1S/C37H58N2O4/c1-34(2,3)26-20-24(21-27(32(26)42)35(4,5)6)14-16-30(40)38-18-13-19-39-31(41)17-15-25-22-28(36(7,8)9)33(43)29(23-25)37(10,11)12/h20-23,42-43H,13-19H2,1-12H3,(H,38,40)(H,39,41)


cas: 69852-41-1
formula: C19H23N4O2S.1/2Cl4Zn
inchikey: MXSVKPJDYZMMNO-UHFFFAOYSA-J
norman_susdat_id: NS00090686
name:
Bis[2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium] tetrachlorozincate

inchi:
InChI=1/2C19H23N4O2S.4ClH.Zn/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;;;;;/h2*5-10,13,24H,4,11-12H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C19H23N4O2S.Cl4Zn/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;/q2*+1;-2

smiles:
Cl[Zn-2](Cl)(Cl)Cl.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(OC)ccc2[n+]3C.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC


name: .beta.-Alanine, N-(2-carboxyethyl)-N-[2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethyl]-
cas: 69856-01-5
chemspiderid: 100683
dtxsid: DTXSID6072005
formula: C18H33N3O4
inchikey: VXWCUMLZBRJYFU-UHFFFAOYSA-N
norman_susdat_id: NS00036969
pubchem_cid: 112324
smiles: CCCCCCCC1=NCCN1CCN(CCC(=O)O)CCC(=O)O
inchi:
InChI=1S/C18H33N3O4/c1-2-3-4-5-6-7-16-19-10-13-21(16)15-14-20(11-8-17(22)23)12-9-18(24)25/h2-15H2,1H3,(H,22,23)(H,24,25)


name: Nonyl-1,1'-biphenyl
cas: 69856-11-7
dtxsid: DTXSID90990123
formula: C21H28
inchikey: XASYKPXGYFMPJK-UHFFFAOYSA-N
norman_susdat_id: NS00061834
pubchem_cid: 18468763
smiles: C=1C=CC(=CC1)C=2C=CC=CC2CCCCCCCCC
inchi:
InChI=1/C21H28/c1-2-3-4-5-6-7-9-14-20-17-12-13-18-21(20)19-15-10-8-11-16-19/h8,10-13,15-18H,2-7,9,14H2,1H3


name: 2-ethylnonadecan-1-oic acid
cas: 69868-05-9
dtxsid: DTXSID80887679
formula: C21H42O2
inchikey: SEVBTWRNJDEVHQ-UHFFFAOYSA-N
norman_susdat_id: NS00063103
pubchem_cid: 112164
smiles: O=C(O)C(CC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(4-2)21(22)23/h20H,3-19H2,1-2H3,(H,22,23)


name: DISODIUM STEAROAM- PHODIACETATE
cas: 69868-14-0
chemspiderid: 100693
formula: C26H49N2O5
inchikey: DNRVCZJPKQJCSM-UHFFFAOYSA-O
norman_susdat_id: NS00013630
pubchem_cid: 112334
smiles: [OH-].[Na+].[Na+].CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCOCC([O-])=O)CC([O-])=O
inchi:
InChI=1S/C26H48N2O5.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-18-19-28(24,22-25(29)30)20-21-33-23-26(31)32;;;/h2-23H2,1H3,(H-,29,30,31,32);;;1H2/q;2*+1;/p-2


cas: 69868-15-1
dtxsid: DTXSID70990141
formula: C12H21N2O5
inchikey: HKFYPGSRJDPVPO-UHFFFAOYSA-L
norman_susdat_id: NS00061515
pubchem_cid: 112335
smiles: [Na+].[Na+].[OH-].O=C([O-])COCC[N+]1(C(=NCC1)CCC)CC(=O)[O-]
name:
Disodium 1-[2-(carboxylatomethoxy)ethyl]-1-(carboxylatomethyl)-4,5-dihydro-2-propyl-1H-imidazolium hydroxide

inchi:
InChI=1/C12H20N2O5.2Na.H2O/c1-2-3-10-13-4-5-14(10,8-11(15)16)6-7-19-9-12(17)18;;;/h2-9H2,1H3,(H-,15,16,17,18);;;1H2/q;2*+1;/p-2


name: 1,2-Ethanediamine, N,N,N'-trioctyl-N'-[2-(octylamino)ethyl]-
cas: 69868-16-2
chemspiderid: 100696
dtxsid: DTXSID1072008
formula: C36H77N3
inchikey: YXOUIZKURYAMLM-UHFFFAOYSA-N
norman_susdat_id: NS00036974
pubchem_cid: 112337
smiles: CCCCCCCCNCCN(CCCCCCCC)CCN(CCCCCCCC)CCCCCCCC
inchi:
InChI=1S/C36H77N3/c1-5-9-13-17-21-25-29-37-30-34-39(33-28-24-20-16-12-8-4)36-35-38(31-26-22-18-14-10-6-2)32-27-23-19-15-11-7-3/h37H,5-36H2,1-4H3


name: Benzoic acid, 2,3,4,5-tetrachloro-6-[(2-methyl-1H-imidazol-1-yl)carbonyl]-
cas: 69868-17-3
chemspiderid: 100697
dtxsid: DTXSID6072009
formula: C12H6Cl4N2O3
inchikey: WHFCBWCUSWCPQU-UHFFFAOYSA-N
norman_susdat_id: NS00036975
pubchem_cid: 112338
smiles: Cc1nccn1C(=O)c1c(C(=O)O)c(Cl)c(Cl)c(Cl)c1Cl
inchi:
InChI=1S/C12H6Cl4N2O3/c1-4-17-2-3-18(4)11(19)5-6(12(20)21)8(14)10(16)9(15)7(5)13/h2-3H,1H3,(H,20,21)


name: 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, oxybis(methyleneoxymethylene) ester
cas: 69868-19-5
chemspiderid: 83027
dtxsid: DTXSID0072011
formula: C22H14O13
inchikey: KVUKZSJWHADELQ-UHFFFAOYSA-N
norman_susdat_id: NS00036976
pubchem_cid: 112340
smiles: O=C(OCOCOCOCOC(=O)c1cc2c(cc1)C(=O)OC2=O)c1cc2c(cc1)C(=O)OC2=O
inchi:
InChI=1S/C22H14O13/c23-17(11-1-3-13-15(5-11)21(27)34-19(13)25)32-9-30-7-29-8-31-10-33-18(24)12-2-4-14-16(6-12)22(28)35-20(14)26/h1-6H,7-10H2


name: 5-decyl-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
cas: 69878-46-2
dtxsid: DTXSID60990155
formula: C28H56N2O6
inchikey: XEMXZMVNMRQIED-UHFFFAOYSA-N
norman_susdat_id: NS00061516
pubchem_cid: 10098054
smiles: O1CCOCCN2CCOCCOCCN(CC1)CCOCC(OCC2)CCCCCCCCCC
inchi:
InChI=1/C28H56N2O6/c1-2-3-4-5-6-7-8-9-10-28-27-35-21-15-29-11-17-31-23-25-33-19-13-30(16-22-36-28)14-20-34-26-24-32-18-12-29/h28H,2-27H2,1H3


name: 13-carboxy-8,18-diethyl-3,7,12,17-tetramethyl-21H,23H-porphine-2-propionic acid
cas: 6988-86-9
formula: C32H40N4O4
inchikey: WQBWSCYNLWLVRZ-UHFFFAOYSA-N
norman_susdat_id: NS00044461
pubchem_cid: NA
smiles: O=C(O)C=1C2=NC(=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5CC)C)C(=C4C)CCC(=O)O)C(=C3CC)C)C1C
inchi:
InChI=1/C32H32N4O4/c1-7-19-15(3)22-11-23-17(5)21(9-10-30(37)38)28(35-23)14-27-20(8-2)16(4)24(34-27)13-29-31(32(39)40)18(6)25(36-29)12-26(19)33-22/h11-14H,7-10H2,1-6H3,(H,37,38)(H,39,40)


name: Disodium 4,4'-oxybis[decylbenzenesulphonate]
cas: 69880-77-9
formula: C32H50O7S2.2Na
inchikey: ITKORIIUQMWLFO-UHFFFAOYSA-L
norman_susdat_id: NS00091502
smiles: [Na+].[Na+].CCCCCCCCCCc1cc(Oc2ccc(c(CCCCCCCCCC)c2)S(=O)(=O)[O-])ccc1S(=O)(=O)[O-]
inchi:
InChI=1/C32H50O7S2.2Na/c1-3-5-7-9-11-13-15-17-19-27-25-29(21-23-31(27)40(33,34)35)39-30-22-24-32(41(36,37)38)28(26-30)20-18-16-14-12-10-8-6-4-2;;/h21-26H,3-20H2,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2


name: Bayogenin
cas: 6989-24-8
chebiid: CHEBI:50481
chemspiderid: 12305221
formula: C30H48O5
inchikey: RWNHLTKFBKYDOJ-JEERONPWSA-N
norman_susdat_id: NS00093730
pubchem_cid: 10217411
smiles:
C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@@H]([C@@H]([C@@]3(C)CO)O)O)C


name: d-Tubocurarine
cas: 6989-98-6
chebiid: CHEBI:9774
chemspiderid: 5778
dtxsid: DTXSID0048393
formula: C37H41N2O6
inchikey: JFJZZMVDLULRGK-URLMMPGGSA-O
norman_susdat_id: NS00006658
pubchem_cid: 6000
smiles: COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4
inchi:
InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1


name: 2-(1,3-dioxan-2-yl)ethyltriphenylphosphonium bromide
cas: 69891-92-5
dtxsid: DTXSID60990170
formula: C24H26O2P
inchikey: XETDBHNHTOJWPZ-UHFFFAOYSA-M
norman_susdat_id: NS00063129
pubchem_cid: 2724168
smiles: [Br-].O1CCCOC1CC[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C24H26O2P.BrH/c1-4-11-21(12-5-1)27(22-13-6-2-7-14-22,23-15-8-3-9-16-23)20-17-24-25-18-10-19-26-24;/h1-9,11-16,24H,10,17-20H2;1H/q+1;/p-1


cas: 69898-39-1
dtxsid: DTXSID50891021
formula: C31H24N4O7S
inchikey: NGYVQEHNWBJLPD-UHFFFAOYSA-L
norman_susdat_id: NS00061517
pubchem_cid: NA
name:
Calcium bis[4-[[3-[[2-hydroxy-3-[[(4-methoxyphenyl)amino]carbonyl]-1-naphthyl]azo]benzoyl]amino]benzenesulphonate]

inchi:
InChI=1/2C31H24N4O7S.Ca/c2*1-42-24-13-9-21(10-14-24)33-31(38)27-18-19-5-2-3-8-26(19)28(29(27)36)35-34-23-7-4-6-20(17-23)30(37)32-22-11-15-25(16-12-22)43(39,40)41;/h2*2-18,36H,1H3,(H,32,37)(H,33,38)(H,39,40,41);/q;;+2/p-2

smiles:
[Ca+2].O=C(NC1=CC=C(C=C1)S(=O)(=O)[O-])C=2C=CC=C(N=NC3=C(O)C(=CC=4C=CC=CC43)C(=O)NC5=CC=C(OC)C=C5)C2.O=C(NC1=CC=C(C=C1)S(=O)(=O)[O-])C=2C=CC=C(N=NC3=C(O)C(=CC=4C=CC=CC43)C(=O)NC5=CC=C(OC)C=C5)C2


name: 7-[4-(diethylamino)-2-ethoxyphenyl]-7-(1-ethyl-2-methyl-1H-indol-3-yl)furo[3,4-b]pyridin-5(7H)-one
cas: 69898-40-4
dtxsid: DTXSID70887683
formula: C30H33N3O3
inchikey: RCVMSMLWRJESQC-UHFFFAOYSA-N
norman_susdat_id: NS00061518
pubchem_cid: 112170
smiles: O=C1OC(C2=NC=CC=C12)(C3=CC=C(C=C3OCC)N(CC)CC)C=4C=5C=CC=CC5N(C4C)CC
inchi:
InChI=1/C30H33N3O3/c1-6-32(7-2)21-16-17-24(26(19-21)35-9-4)30(28-23(29(34)36-30)14-12-18-31-28)27-20(5)33(8-3)25-15-11-10-13-22(25)27/h10-19H,6-9H2,1-5H3


name: 5-[4-(diethylamino)-2-ethoxyphenyl]-5-(1-ethyl-2-methyl-1H-indol-3-yl)furo[3,4-b]pyridin-7(5H)-one
cas: 69898-41-5
dtxsid: DTXSID30887684
formula: C30H33N3O3
inchikey: OIIAWEYLHHHZJC-UHFFFAOYSA-N
norman_susdat_id: NS00062069
pubchem_cid: 112171
smiles: O=C1OC(C2=CC=C(C=C2OCC)N(CC)CC)(C3=CC=CN=C13)C=4C=5C=CC=CC5N(C4C)CC
inchi:
InChI=1/C30H33N3O3/c1-6-32(7-2)21-16-17-23(26(19-21)35-9-4)30(24-14-12-18-31-28(24)29(34)36-30)27-20(5)33(8-3)25-15-11-10-13-22(25)27/h10-19H,6-9H2,1-5H3


cas: 69898-56-2
formula: C20H26O
norman_susdat_id: NS00101357
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(1,1-dimethylethyl)phenyl]-.omega.-[4-(1,1-dimethylethyl)phenoxy]-


cas: 69898-60-8
dtxsid: DTXSID50887520
formula: C32H34N2O5
inchikey: RVORTOANALJZCZ-UHFFFAOYSA-N
norman_susdat_id: NS00061887
pubchem_cid: 112173
smiles: O=C(O)C1=CC=C2C(=O)OC(C3=CC=C(C=C3OCC)N(CC)CC)(C2=C1)C=4C=5C=CC=CC5N(C4C)CC
name:
3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxoisobenzofuran-5-carboxylic acid

inchi:
InChI=1/C32H34N2O5/c1-6-33(7-2)22-15-17-25(28(19-22)38-9-4)32(26-18-21(30(35)36)14-16-23(26)31(37)39-32)29-20(5)34(8-3)27-13-11-10-12-24(27)29/h10-19H,6-9H2,1-5H3,(H,35,36)


cas: 69898-61-9
dtxsid: DTXSID10887521
formula: C32H34N2O5
inchikey: ZVCONXWQMXMVHR-UHFFFAOYSA-N
norman_susdat_id: NS00061519
pubchem_cid: 112174
smiles: O=C(O)C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3OCC)N(CC)CC)C=4C=5C=CC=CC5N(C4C)CC
name:
1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxoisobenzofuran-5-carboxylic acid

inchi:
InChI=1/C32H34N2O5/c1-6-33(7-2)22-15-17-26(28(19-22)38-9-4)32(25-16-14-21(30(35)36)18-24(25)31(37)39-32)29-20(5)34(8-3)27-13-11-10-12-23(27)29/h10-19H,6-9H2,1-5H3,(H,35,36)


cas: 69898-62-0
dtxsid: DTXSID70887522
formula: C48H66N2O5
inchikey: FUFPPSDQHUWJRG-UHFFFAOYSA-N
norman_susdat_id: NS00062071
pubchem_cid: 112175
smiles: O=C(OCCCCCCCCCCCCCCCC)C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3OCC)N(CC)CC)C=4C=5C=CC=CC5N(C4C)CC
name:
Hexadecyl 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxoisobenzofuran-5-carboxylate

inchi:
InChI=1/C48H66N2O5/c1-7-12-13-14-15-16-17-18-19-20-21-22-23-26-33-54-46(51)37-29-31-41-40(34-37)47(52)55-48(41,45-36(6)50(10-4)43-28-25-24-27-39(43)45)42-32-30-38(49(8-2)9-3)35-44(42)53-11-5/h24-25,27-32,34-35H,7-23,26,33H2,1-6H3


cas: 69898-63-1
dtxsid: DTXSID30887523
formula: C48H66N2O5
inchikey: FGRUXJLXBWXXGP-UHFFFAOYSA-N
norman_susdat_id: NS00062091
pubchem_cid: 112176
smiles: O=C(OCCCCCCCCCCCCCCCC)C1=CC=C2C(=O)OC(C3=CC=C(C=C3OCC)N(CC)CC)(C2=C1)C=4C=5C=CC=CC5N(C4C)CC
name:
Hexadecyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxoisobenzofuran-5-carboxylate

inchi:
InChI=1/C48H66N2O5/c1-7-12-13-14-15-16-17-18-19-20-21-22-23-26-33-54-46(51)37-29-31-39-42(34-37)48(55-47(39)52,45-36(6)50(10-4)43-28-25-24-27-40(43)45)41-32-30-38(49(8-2)9-3)35-44(41)53-11-5/h24-25,27-32,34-35H,7-23,26,33H2,1-6H3


cas: 69898-64-2
dtxsid: DTXSID90887524
formula: C46H62N2O5
inchikey: QFEIWJQQKQZEFZ-UHFFFAOYSA-N
norman_susdat_id: NS00061520
pubchem_cid: 112177
smiles: O=C(OCCCCCCCCCCCCCC)C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3OCC)N(CC)CC)C=4C=5C=CC=CC5N(C4C)CC
name:
Tetradecyl 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxoisobenzofuran-5-carboxylate

inchi:
InChI=1/C46H62N2O5/c1-7-12-13-14-15-16-17-18-19-20-21-24-31-52-44(49)35-27-29-39-38(32-35)45(50)53-46(39,43-34(6)48(10-4)41-26-23-22-25-37(41)43)40-30-28-36(47(8-2)9-3)33-42(40)51-11-5/h22-23,25-30,32-33H,7-21,24,31H2,1-6H3


cas: 69898-65-3
dtxsid: DTXSID50887525
formula: C46H62N2O5
inchikey: GURBNRZOMYIYBU-UHFFFAOYSA-N
norman_susdat_id: NS00062092
pubchem_cid: 112178
smiles: O=C(OCCCCCCCCCCCCCC)C1=CC=C2C(=O)OC(C3=CC=C(C=C3OCC)N(CC)CC)(C2=C1)C=4C=5C=CC=CC5N(C4C)CC
name:
Tetradecyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxoisobenzofuran-5-carboxylate

inchi:
InChI=1/C46H62N2O5/c1-7-12-13-14-15-16-17-18-19-20-21-24-31-52-44(49)35-27-29-37-40(32-35)46(53-45(37)50,43-34(6)48(10-4)41-26-23-22-25-38(41)43)39-30-28-36(47(8-2)9-3)33-42(39)51-11-5/h22-23,25-30,32-33H,7-21,24,31H2,1-6H3


cas: 69898-66-4
dtxsid: DTXSID80867855
formula: C34H38N2O5
inchikey: YKKDHRLYLZJUEY-UHFFFAOYSA-N
norman_susdat_id: NS00063130
pubchem_cid: 112179
smiles: O=C(OCC)C1=CC=C2C(=O)OC(C3=CC=C(C=C3OCC)N(CC)CC)(C2=C1)C=4C=5C=CC=CC5N(C4C)CC
name:
Ethyl 3-[4-(diethylamino)-2-ethoxyphenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-1-oxoisobenzofuran-5-carboxylate

inchi:
InChI=1/C34H38N2O5/c1-7-35(8-2)24-17-19-27(30(21-24)39-10-4)34(31-22(6)36(9-3)29-15-13-12-14-26(29)31)28-20-23(32(37)40-11-5)16-18-25(28)33(38)41-34/h12-21H,7-11H2,1-6H3


cas: 69898-67-5
dtxsid: DTXSID40867856
formula: C34H38N2O5
inchikey: PWEKGTKLJQSBOK-UHFFFAOYSA-N
norman_susdat_id: NS00061888
pubchem_cid: 112180
smiles: O=C(OCC)C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3OCC)N(CC)CC)C=4C=5C=CC=CC5N(C4C)CC
name:
Ethyl 1-[4-(diethylamino)-2-ethoxyphenyl]-1-(1-ethyl-2-methyl-1H-indol-3-yl)-1,3-dihydro-3-oxoisobenzofuran-5-carboxylate

inchi:
InChI=1/C34H38N2O5/c1-7-35(8-2)24-17-19-28(30(21-24)39-10-4)34(31-22(6)36(9-3)29-15-13-12-14-25(29)31)27-18-16-23(32(37)40-11-5)20-26(27)33(38)41-34/h12-21H,7-11H2,1-6H3


name: Fusidic acid
cas: 6990-06-3
chebiid: CHEBI:29013
chemspiderid: 2271900
dtxsid: DTXSID0023086
formula: C31H48O6
inchikey: IECPWNUMDGFDKC-MZJAQBGESA-N
norman_susdat_id: NS00007426
pubchem_cid: 3000226
inchi:
InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1

smiles:
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O


name: 4,4'-(Phenylenebis(methylene))bis(1,1-dimethylsemicarbazide)
cas: 69911-58-6
chemspiderid: 21168010
dtxsid: DTXSID30220193
formula: C14H24N6O2
inchikey: XBHVXGVJAFWDOJ-UHFFFAOYSA-N
norman_susdat_id: NS00036978
pubchem_cid: 44148566
smiles: CN(C)NC(=O)NCc1ccccc1CNC(=O)NN(C)C
inchi:
InChI=1S/C14H24N6O2/c1-19(2)17-13(21)15-9-11-7-5-6-8-12(11)10-16-14(22)18-20(3)4/h5-8H,9-10H2,1-4H3,(H2,15,17,21)(H2,16,18,22)


name: Loxanast
cas: 69915-62-4
chemspiderid: 16736804
formula: C14H26O2
inchikey: HARNFRANZLWZKO-XBXGTLAGSA-N
norman_susdat_id: NS00010324
pubchem_cid: NA
smiles: CC(CCC[C@H]1CC[C@](CC1)(C(=O)O)C)C
inchi:
InChI=1S/C14H26O2/c1-11(2)5-4-6-12-7-9-14(3,10-8-12)13(15)16/h11-12H,4-10H2,1-3H3,(H,15,16)/t12-,14+


cas: 6992-11-6
chemspiderid: 21172638
dtxsid: DTXSID5064542
formula: C24H15Cl2N5O3
inchikey: NAEXAHVLTQKKCY-UHFFFAOYSA-N
norman_susdat_id: NS00044015
pubchem_cid: 81471
smiles: O=C1NC2=CC=C(C=C2N1)NC(=O)C3=CC=4C=CC=CC4C(N=NC5=CC(Cl)=CC=C5Cl)=C3O
name:
2-Naphthalenecarboxamide, 4-[(2,5-dichlorophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-

inchi:
InChI=1/C24H15Cl2N5O3/c25-13-5-7-17(26)19(10-13)30-31-21-15-4-2-1-3-12(15)9-16(22(21)32)23(33)27-14-6-8-18-20(11-14)29-24(34)28-18/h1-11,32H,(H,27,33)(H2,28,29,34)


name: 2-[2-(acetylphenylamino)vinyl]-3-ethylbenzoxazolium iodide
cas: 6992-73-0
dtxsid: DTXSID60884348
formula: C19H19N2O2
inchikey: SGSGUFNNYSEVCY-UHFFFAOYSA-M
norman_susdat_id: NS00043946
pubchem_cid: NA
smiles: [I-].O=C(N(C=CC=1OC=2C=CC=CC2[N+]1CC)C=3C=CC=CC3)C
inchi:
InChI=1/C19H19N2O2.HI/c1-3-20-17-11-7-8-12-18(17)23-19(20)13-14-21(15(2)22)16-9-5-4-6-10-16;/h4-14H,3H2,1-2H3;1H/q+1;/p-1


name: 4,4'-oxybis[dodecylbenzenesulphonic] acid
cas: 69929-03-9
dtxsid: DTXSID80990197
formula: C36H58O7S2
inchikey: DGOKVTWHRCIZOX-UHFFFAOYSA-N
norman_susdat_id: NS00063150
pubchem_cid: NA
smiles: O=S(=O)(O)C1=CC=C(OC2=CC=C(C(=C2)CCCCCCCCCCCC)S(=O)(=O)O)C=C1CCCCCCCCCCCC
inchi:
InChI=1/C36H58O7S2/c1-3-5-7-9-11-13-15-17-19-21-23-31-29-33(25-27-35(31)44(37,38)39)43-34-26-28-36(45(40,41)42)32(30-34)24-22-20-18-16-14-12-10-8-6-4-2/h25-30H,3-24H2,1-2H3,(H,37,38,39)(H,40,41,42)


cas: 69929-13-1
dtxsid: DTXSID50890039
formula: C30H24FN9O10S3
inchikey: ZRTOSNXWFXLLCA-UHFFFAOYSA-K
norman_susdat_id: NS00061547
pubchem_cid: 166092
name:
Trisodium 3-[4-[[5-[[4-fluoro-6-[(o-tolyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]naphthalene-1,5-disulphonate

inchi:
InChI=1/C30H24FN9O10S3.3Na/c1-15-6-3-4-8-21(15)33-30-35-28(31)34-29(36-30)32-17-10-11-24(52(45,46)47)22(12-17)37-38-26-16(2)39-40(27(26)41)18-13-20-19(25(14-18)53(48,49)50)7-5-9-23(20)51(42,43)44;;;/h3-14,26H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,32,33,34,35,36);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC3=NC(F)=NC(=N3)NC=4C=CC=CC4C)C=5C=C6C(C=CC=C6S(=O)(=O)[O-])=C(C5)S(=O)(=O)[O-]


cas: 69929-15-3
chemspiderid: 100704
dtxsid: DTXSID0072019
formula: C17H20N6O2S2
inchikey: GGYJFRFXNKBWKW-UHFFFAOYSA-N
norman_susdat_id: NS00036983
pubchem_cid: 112347
smiles: CCN(CCC#N)c1ccc(cc1)N=Nc1nc(SCCC(=O)OC)ns1
name:
Propanoic acid, 3-[[5-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,2,4-thiadiazol-3-yl]thio]-, methyl ester

inchi:
InChI=1S/C17H20N6O2S2/c1-3-23(11-4-10-18)14-7-5-13(6-8-14)20-21-16-19-17(22-27-16)26-12-9-15(24)25-2/h5-8H,3-4,9,11-12H2,1-2H3/b21-20+


name: Butyloctylmagnesium
cas: 69929-18-6
formula: C12H26Mg
inchikey: RGPSRYWDFHAWOT-UHFFFAOYSA-N
norman_susdat_id: NS00090721
smiles: CCCCCCCC[Mg]CCCC
inchi:
InChI=1/C8H17.C4H9.Mg/c1-3-5-7-8-6-4-2;1-3-4-2;/h1,3-8H2,2H3;1,3-4H2,2H3;/rC12H26Mg/c1-3-5-7-8-9-10-12-13-11-6-4-2/h3-12H2,1-2H3


name: 4-[(2-chloro-4,6-dinitrophenyl)azo]-N,N-diethyl-5-methyl-o-anisidine
cas: 69938-68-7
dtxsid: DTXSID10887687
formula: C18H22ClN5O5
inchikey: BXFGUKZOMXCIDY-UHFFFAOYSA-N
norman_susdat_id: NS00063151
pubchem_cid: 112349
smiles: O=[N+]([O-])C1=CC(Cl)=C(N=NC=2C=C(OC)C(=CC2C)N(CC)CC)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C18H20ClN5O5/c1-5-22(6-2)15-7-11(3)14(10-17(15)29-4)20-21-18-13(19)8-12(23(25)26)9-16(18)24(27)28/h7-10H,5-6H2,1-4H3


name: 2,2-Dimethyl-1,3-propanediyl disalicylate
cas: 69938-81-4
chemspiderid: 7995250
dtxsid: DTXSID40220220
formula: C19H20O6
inchikey: UPOAXWJOHRPRER-UHFFFAOYSA-N
norman_susdat_id: NS00036985
pubchem_cid: 9819501
smiles: CC(C)(COC(=O)c1ccccc1O)COC(=O)c1ccccc1O
inchi:
InChI=1S/C19H20O6/c1-19(2,11-24-17(22)13-7-3-5-9-15(13)20)12-25-18(23)14-8-4-6-10-16(14)21/h3-10,20-21H,11-12H2,1-2H3


name: 1,4-Bis(ethylamino)anthracene-9,10-dione
cas: 6994-46-3
chemspiderid: 73513
dtxsid: DTXSID6041559
formula: C18H18N2O2
inchikey: JUUJTYPMICHIEM-UHFFFAOYSA-N
norman_susdat_id: NS00019681
pubchem_cid: 81473
smiles: CCNc1ccc(NCC)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C18H18N2O2/c1-3-19-13-9-10-14(20-4-2)16-15(13)17(21)11-7-5-6-8-12(11)18(16)22/h5-10,19-20H,3-4H2,1-2H3


name: Benzenesulfonic acid, 5-(2H-naphtho[1,2-d]triazol-2-yl)-2-(2-phenylethenyl)-, phenyl ester
cas: 6994-51-0
chemspiderid: 1371734
dtxsid: DTXSID0064543
formula: C30H21N3O3S1
inchikey: UVLVTQUZKGNXQB-UHFFFAOYSA-N
norman_susdat_id: NS00021336
pubchem_cid: 111251
smiles: O=S(=O)(Oc1ccccc1)c1c(/C=C/c2ccccc2)ccc(c1)n1nc2ccc3c(cccc3)c2n1
inchi:
InChI=1S/C30H21N3O3S/c34-37(35,36-26-12-5-2-6-13-26)29-21-25(19-17-24(29)16-15-22-9-3-1-4-10-22)33-31-28-20-18-23-11-7-8-14-27(23)30(28)32-33/h1-21H/b16-15+


name: Tin distearate
cas: 6994-59-8
formula: C18H36O2.1/2Sn
inchikey: HBZZDTYQIBJALG-UHFFFAOYSA-L
norman_susdat_id: NS00080952
smiles: [Sn+4].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H36O2.Sn/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;;+4/p-2


name: Tris(p-tert-pentylphenyl) phosphite, compound with dicyclohexylamine (1:1)
cas: 69943-67-5
formula: C33H45O3P.C12H23N
inchikey: HBLBZUZADOHOCB-UHFFFAOYSA-N
norman_susdat_id: NS00090730
smiles: CCC(C)(C)c1ccc(OP(Oc2ccc(cc2)C(C)(C)CC)Oc3ccc(cc3)C(C)(C)CC)cc1.C4CCC(CC4)NC5CCCCC5
inchi:
InChI=1/C33H45O3P.C12H23N/c1-10-31(4,5)25-13-19-28(20-14-25)34-37(35-29-21-15-26(16-22-29)32(6,7)11-2)36-30-23-17-27(18-24-30)33(8,9)12-3;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h13-24H,10-12H2,1-9H3;11-13H,1-10H2


name: Diethyl sulphate, compound with N,N-bis[3-(dimethylamino)propyl]octadecanamide
cas: 69943-71-1
dtxsid: DTXSID4072025
formula: C28H59N3O
inchikey: IAYOMLHYXQZYEK-UHFFFAOYSA-N
norman_susdat_id: NS00061917
pubchem_cid: 112355
smiles: O=C(N(CCCN(C)C)CCCN(C)C)CCCCCCCCCCCCCCCCC.O=S(=O)(OCC)OCC
inchi:
InChI=1/C28H59N3O.C4H10O4S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28(32)31(26-21-24-29(2)3)27-22-25-30(4)5;1-3-7-9(5,6)8-4-2/h6-27H2,1-5H3;3-4H2,1-2H3


cas: 69943-75-5
formula: C20H18O7
norman_susdat_id: NS00101712
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[4-(oxiranylmethoxy)benzoyl]-.omega.-[[4-(oxiranylmethoxy)benzoyl]oxy]-


name: Psilostachyin B
cas: 6995-02-4
dtxsid: DTXSID90904245
formula: C15H18O4
inchikey: IOGFBFUSBVLQMS-PSOPSSQASA-N
norman_susdat_id: NS00097239
smiles: CC1=C2CCC(=O)O[C@]2([C@H]3[C@@H](CC1)C(=C)C(=O)O3)C
inchi:
InChI=1S/C15H18O4/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(16)19-15/h10,13H,2,4-7H2,1,3H3/t10-,13+,15+/m0/s1


name: Pelubiprofen
cas: 69956-77-0
dtxsid: DTXSID80860907
formula: C16H18O3
inchikey: AUZUGWXLBGZUPP-IWQAVIMZSA-N
norman_susdat_id: NS00068054
smiles: C[C@H](C(=O)O)c1ccc(/C=C2CCCCC2=O)cc1
inchi:
InChI=1S/C16H18O3/c1-11(16(18)19)13-8-6-12(7-9-13)10-14-4-2-3-5-15(14)17/h6-11H,2-5H2,1H3,(H,18,19)/b14-10+/t11-/m0/s1


name: N-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]acetamide monohydrochloride
cas: 6996-43-6
formula: C14H22N2O3.ClH
inchikey: UEWORNJBQXFYSM-UHFFFAOYSA-N
norman_susdat_id: NS00080716
smiles: Cl.CC(C)NCC(O)COc1ccc(NC(=O)C)cc1
inchi:
InChI=1/C14H22N2O3.ClH/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);1H


name: 1-[2-methyl-3-[4-(phenylthio)phenyl]propyl]-1H-imidazolium chloride
cas: 69965-44-2
dtxsid: DTXSID40990219
formula: C19H21N2S
inchikey: HBCVTNKEGVSKIY-UHFFFAOYSA-N
norman_susdat_id: NS00063152
pubchem_cid: NA
smiles: [Cl-].S(C=1C=CC=CC1)C2=CC=C(C=C2)CC(C)C[N+]=3C=CNC3
inchi:
InChI=1/C19H20N2S.ClH/c1-16(14-21-12-11-20-15-21)13-17-7-9-19(10-8-17)22-18-5-3-2-4-6-18;/h2-12,15-16H,13-14H2,1H3;1H


name: Sodium hydrogen 4-aminonaphthalene-2,7-disulphonate
cas: 69966-61-6
formula: C10H9NO6S2.Na
inchikey: TWTKVDSNHGHFQW-UHFFFAOYSA-L
norman_susdat_id: NS00090970
smiles: [Na+].Nc1cc(cc2cc(ccc12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO6S2.Na/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-2


name: Rifamycin SV
cas: 6998-60-3
chemspiderid: 16735998
dtxsid: DTXSID1032014
formula: C37H47N1O12
inchikey: HJYYPODYNSCCOU-UHFFFAOYSA-N
norman_susdat_id: NS00001611
pubchem_cid: 60907
smiles: COC1C=COC2(C)Oc3c(C2=O)c2c(O)cc(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C
inchi:
InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)


name: 3,4,5,6-tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrobromide
cas: 69984-26-5
formula: C17H19NO.BrH
inchikey: KIZRSQLEKKJDEM-UHFFFAOYSA-N
norman_susdat_id: NS00090892
smiles: Br.CN1CCOC(c2ccccc2)c3ccccc3C1
inchi:
InChI=1/C17H19NO.BrH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H


name: 2-(hydroxymethyl)-6-(nonyloxy)oxane-3,4,5-triol
cas: 69984-73-2
dtxsid: DTXSID50905278
formula: C15H30O6
inchikey: QFAPUKLCALRPLH-UXXRCYHCSA-N
norman_susdat_id: NS00071268
pubchem_cid: 155448
smiles: CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1


name: 6a-fluoro-17,21-dihydroxy-16a-methylpregna-1,4,9(11)-triene-3,20-dione 21-pivalate
cas: 69986-99-8
dtxsid: DTXSID40990234
formula: C27H35FO5
inchikey: XIUGFPMMENKQMK-NEAAHKHISA-N
norman_susdat_id: NS00063167
pubchem_cid: 13023335
smiles: O=C1C=CC2(C(=C1)C(F)CC3C2=CCC4(C)C3CC(C)C4(O)C(=O)COC(=O)C(C)(C)C)C
inchi:
InChI=1/C27H35FO5/c1-15-11-19-17-13-21(28)20-12-16(29)7-9-25(20,5)18(17)8-10-26(19,6)27(15,32)22(30)14-33-23(31)24(2,3)4/h7-9,12,15,17,19,21,32H,10-11,13-14H2,1-6H3


cas: 69991-67-9
dtxsid: DTXSID20882966
norman_susdat_id: NS00109636
name:
Poly(oxydifluormethanediyl)poly(oxy-1,1,2,3,3,3-hexafluoro-1,2-propanediyl), .alpha.-trifluoromethyl-.omega.-trifluoromethoxy-


name: Trifluridine
cas: 70-00-8
chemspiderid: 221798
dtxsid: DTXSID4046602
formula: C10H11F3N2O5
inchikey: VSQQQLOSPVPRAZ-UHFFFAOYSA-N
norman_susdat_id: NS00001954
pubchem_cid: 253083
smiles: OCC1OC(CC1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
inchi:
InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)


name: Glutathione
cas: 70-18-8
chemspiderid: 725
dtxsid: DTXSID6023101
formula: C10H17N3O6S1
inchikey: RWSXRVCMGQZWBV-UHFFFAOYSA-N
norman_susdat_id: NS00001243
pubchem_cid: 60072620
smiles: NC(CCC(=O)NC(CS)C(=O)NCC(O)=O)C(O)=O
inchi:
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)


name: Deferoxamine
cas: 70-51-9
chebiid: CHEBI:4356
chemspiderid: 2867
dtxsid: DTXSID7022887
formula: C25H48N6O8
inchikey: UBQYURCVBFRUQT-UHFFFAOYSA-N
norman_susdat_id: NS00007870
pubchem_cid: 2973
smiles: CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
inchi:
InChI=1S/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)


name: Amisulpride-met 48 -724
cas: 70006-24-5
chemspiderid: NA
formula: C29H45Cl1N3O16S1
inchikey: QVRAYVUZIYBLCJ-UHFFFAOYSA-N
norman_susdat_id: NS00000757
pubchem_cid: NA
inchi:
InChI=1S/C29H45ClN3O16S/c1-4-33(30,26-21(38)17(34)19(36)23(48-26)28(41)42,27-22(39)18(35)20(37)24(49-27)29(43)44)8-6-7-12(33)11-32-25(40)13-9-16(50(45,46)5-2)14(31)10-15(13)47-3/h9-10,12,17-24,26-27,34-39H,4-8,11,31H2,1-3H3,(H,32,40)(H,41,42)(H,43,44)

smiles:
S(=O)(c1c(N)cc(OC)c(C(NCC2N(C3C(C(C(C(O3)C(O)=O)O)O)O)(C4C(C(C(C(O4)C(O)=O)O)O)O)(CCC2)(Cl)CC)=O)c1)(CC)=O


name: N-(diphosphonomethyl)-L-aspartic acid
cas: 70008-50-3
dtxsid: DTXSID10220277
formula: C5H11NO10P2
inchikey: SHEYGLXRBDREIE-REOHCLBHSA-N
norman_susdat_id: NS00061920
pubchem_cid: 44153396
smiles: O=C(O)CC(NC(P(=O)(O)O)P(=O)(O)O)C(=O)O
inchi:
InChI=1/C5H11NO10P2/c7-3(8)1-2(4(9)10)6-5(17(11,12)13)18(14,15)16/h2,5-6H,1H2,(H,7,8)(H,9,10)(H2,11,12,13)(H2,14,15,16)


name: {[(5-chloropyridin-2-yl)amino](phosphono)methyl}phosphonic acid
cas: 70010-82-1
dtxsid: DTXSID00990255
formula: C6H9ClN2O6P2
inchikey: BNMYZGAZFGNKTH-UHFFFAOYSA-N
norman_susdat_id: NS00070293
pubchem_cid: 405389
smiles: O=P(O)(O)C(Nc1ccc(Cl)cn1)P(=O)(O)O
inchi:
InChI=1S/C6H9ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(16(10,11)12)17(13,14)15/h1-3,6H,(H,8,9)(H2,10,11,12)(H2,13,14,15)


name: Loxapine
cas: 70020-54-1
chebiid: CHEBI:50841
chemspiderid: 3827
formula: C18H18Cl1N3O1
inchikey: XJGVXQDUIWGIRW-UHFFFAOYSA-N
norman_susdat_id: NS00008936
pubchem_cid: 3964
smiles: CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12
inchi:
InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3


name: N-Octadecyl-L-aspartic acid
cas: 70021-38-4
chemspiderid: 55822
dtxsid: DTXSID40220306
formula: C22H43N1O4
inchikey: WAFABZJWXBXYNL-FQEVSTJZSA-N
norman_susdat_id: NS00036993
pubchem_cid: 61971
smiles: CCCCCCCCCCCCCCCCCCNC(CC(=O)O)C(=O)O
inchi:
InChI=1S/C22H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-20(22(26)27)19-21(24)25/h20,23H,2-19H2,1H3,(H,24,25)(H,26,27)/t20-/m0/s1


name: 9-Octadecenoic acid (Z)-, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
cas: 70024-57-6
formula: -
inchikey: WAZOXQOFCQKLFT-QXMHVHEDSA-N
norman_susdat_id: NS00090971
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)(CO)CO
inchi:
InChI=1/C24H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)28-22-24(4-2,20-25)21-26/h11-12,25-26H,3-10,13-22H2,1-2H3


name: Benzenesulfonic acid, C16-24-alkyl derivs.
cas: 70024-67-8
formula: -
inchikey: ODEJNIONXVQFGU-UHFFFAOYSA-N
norman_susdat_id: NS00090986
smiles: CCCCCCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)O
inchi:
InChI=1/C26H46O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23-26(24-22-25)30(27,28)29/h21-24H,2-20H2,1H3,(H,27,28,29)


name: Benzenesulfonic acid, mono-C16-24-alkyl derivs., calcium salts
cas: 70024-69-0
dtxsid: DTXSID3028972
formula: C26H46O3S
inchikey: UDXSMDZKFXABLJ-UHFFFAOYSA-M
norman_susdat_id: NS00061599
pubchem_cid: 20435541
smiles: [Na+].O=S(=O)([O-])C1=CC=C(C=C1)CCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H46O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23-26(24-22-25)30(27,28)29;/h21-24H,2-20H2,1H3,(H,27,28,29);/q;+1/p-1


name: Phenazepam- 3-Hydroxy
cas: 70030-11-4
chemspiderid: 111897
dtxsid: DTXSID10990281
formula: C15H10BrClN2O2
inchikey: KRJKJUWAZOWXNV-UHFFFAOYSA-N
norman_susdat_id: NS00098610
pubchem_cid: 125820
smiles: c1ccc(c(c1)C2=NC(C(=O)Nc3c2cc(cc3)Br)O)Cl
inchi:
InChI=1S/C15H10BrClN2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)


name: Epimestrol
cas: 7004-98-0
chebiid: CHEBI:34738
formula: C19H26O3
inchikey: UHQGCIIQUZBJAE-RRQVMCLOSA-N
norman_susdat_id: NS00080696
smiles: COc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@H](O)[C@H](O)C[C@@H]12)c4cc3
inchi:
InChI=1/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3


name: Cillin
cas: 7005-30-3
chemspiderid: 2259
dtxsid: DTXSID20274362
formula: C16H18N2O4S1
inchikey: JGSARLDLIJGVTE-UHFFFAOYSA-N
norman_susdat_id: NS00001514
pubchem_cid: 2349
smiles: CC1(C)SC2C(NC(=O)CC3=CC=CC=C3)C(=O)N2C1C(O)=O
inchi:
InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)


name: Octadecanamide, N,N'-[[(2-cyanoethyl)imino]di-2,1-ethanediyl]bis-
cas: 70055-52-6
chemspiderid: 100716
dtxsid: DTXSID9072026
formula: C43H84N4O2
inchikey: FKQHSBAADFHUQW-UHFFFAOYSA-N
norman_susdat_id: NS00036997
pubchem_cid: 112359
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)CCC#N
inchi:
InChI=1S/C43H84N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-42(48)45-37-40-47(39-33-36-44)41-38-46-43(49)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35,37-41H2,1-2H3,(H,45,48)(H,46,49)


name: N-[2-(4,5-dihydro-2-pentadecyl-1H-imidazol-1-yl)ethyl]hexadecan-1-amide
cas: 70055-53-7
dtxsid: DTXSID60990296
formula: C36H71N3O
inchikey: FPOOYNZMDXKXIK-UHFFFAOYSA-N
norman_susdat_id: NS00061690
pubchem_cid: 3017980
smiles: O=C(NCCN1C(=NCC1)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C36H71N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-37-31-33-39(35)34-32-38-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3,(H,38,40)


name: Trimethyl[3-(oleoylamino)propyl]ammonium methyl methylphosphonate
cas: 70055-71-9
dtxsid: DTXSID20990297
formula: C24H49N2O
inchikey: PBMBPUTYRNYYSO-USGGBSEESA-N
norman_susdat_id: NS00061308
pubchem_cid: 53470827
smiles: O=C(NCCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC.O=P([O-])(OC)C
inchi:
InChI=1/C24H48N2O.C2H7O3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25-22-20-23-26(2,3)4;1-5-6(2,3)4/h12-13H,5-11,14-23H2,1-4H3;1-2H3,(H,3,4)


name: N-cyano-N'-methyl-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]guanidine monohydrochloride
cas: 70059-30-2
chebiid: CHEBI:50362
formula: C10H16N6S.ClH
inchikey: QJHCNBWLPSXHBL-UHFFFAOYSA-N
norman_susdat_id: NS00091384
smiles: Cl.CN\C(=N\CCSCc1nc[nH]c1C)\NC#N
inchi:
InChI=1/C10H16N6S.ClH/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1H


name: Ammonium 2-(4-chlorophenyl)benzoxazole-5-propionate
cas: 70062-36-1
formula: C16H12ClNO3.H3N
inchikey: ZHGKCKWUNIMCGT-UHFFFAOYSA-N
norman_susdat_id: NS00091385
smiles: [NH4+].[O-]C(=O)CCc1ccc2oc(nc2c1)c3ccc(Cl)cc3
inchi:
InChI=1/C16H12ClNO3.H3N/c17-12-5-3-11(4-6-12)16-18-13-9-10(2-8-15(19)20)1-7-14(13)21-16;/h1,3-7,9H,2,8H2,(H,19,20);1H3


name: Oleic acid, compound with N,N-dimethyloctadecylamine (1:1)
cas: 70069-12-4
formula: C20H43N.C18H34O2
inchikey: ISXUPALXMVVLSU-SVMKZPJVSA-N
norman_susdat_id: NS00091386
smiles: CCCCCCCCCCCCCCCCCCN(C)C.CCCCCCCC\C=C/CCCCCCCC(=O)O
inchi:
InChI=1/C20H43N.C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-20H2,1-3H3;9-10H,2-8,11-17H2,1H3,(H,19,20)


name: hydroxindasol
cas: 7008-15-3
chemspiderid: 187452
formula: C19H22N2O2
inchikey: AYYHIZJKRIKWCE-UHFFFAOYSA-N
norman_susdat_id: NS00004436
pubchem_cid: 216254
smiles: COc1ccc(Cn2c(C)c(CCN)c3cc(O)ccc23)cc1
inchi:
InChI=1S/C19H22N2O2/c1-13-17(9-10-20)18-11-15(22)5-8-19(18)21(13)12-14-3-6-16(23-2)7-4-14/h3-8,11,22H,9-10,12,20H2,1-2H3


name: Dichlorisone
cas: 7008-26-6
chemspiderid: 16735776
dtxsid: DTXSID10220353
formula: C21H26Cl2O4
inchikey: CZJXBZPJABCCRQ-BULBTXNYSA-N
norman_susdat_id: NS00037004
pubchem_cid: 20054892
smiles: CC12CC(Cl)[C@@]3(Cl)C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)CO
inchi:
InChI=1S/C21H26Cl2O4/c1-18-7-5-13(25)9-12(18)3-4-15-14-6-8-20(27,17(26)11-24)19(14,2)10-16(22)21(15,18)23/h5,7,9,14-16,24,27H,3-4,6,8,10-11H2,1-2H3/t14-,15+,16-,18+,19+,20-,21-/m0/s1


name: Galunisertib
cas: 700874-72-2
chebiid: CHEBI:137064
dtxsid: DTXSID00220362
formula: C22H19N5O
inchikey: IVRXNBXKWIJUQB-UHFFFAOYSA-N
norman_susdat_id: NS00069665
pubchem_cid: 10090485
smiles: Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1
inchi:
InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)


name: levometiomeprazin
cas: 7009-43-0
chemspiderid: 24621
formula: C19H24N2S2
inchikey: AQMNNXSLDLIGII-UHFFFAOYSA-N
norman_susdat_id: NS00003161
pubchem_cid: 26430
smiles: CSc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1
inchi:
InChI=1S/C19H24N2S2/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21/h5-11,14H,12-13H2,1-4H3


name: Pentapiperide
cas: 7009-54-3
chemspiderid: 99588
dtxsid: DTXSID2023432
formula: C18H27N1O2
inchikey: UKQYEYCQIQBHBC-UHFFFAOYNA-N
norman_susdat_id: NS00037006
pubchem_cid: NA
smiles: CCC(C)C(C(=O)OC1CCN(C)CC1)c1ccccc1
inchi:
InChI=1S/C18H27NO2/c1-4-14(2)17(15-8-6-5-7-9-15)18(20)21-16-10-12-19(3)13-11-16/h5-9,14,16-17H,4,10-13H2,1-3H3/t14-,17-/m1/s1


name: Pheniodol sodium
cas: 7009-60-1
formula: C15H12I2O3.Na
inchikey: JFFBJAOFKRCWPX-UHFFFAOYSA-M
norman_susdat_id: NS00080742
smiles: [Na+].Oc1c(I)cc(CC(C(=O)[O-])c2ccccc2)cc1I
inchi:
InChI=1/C15H12I2O3.Na/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10;/h1-5,7-8,11,18H,6H2,(H,19,20);/q;+1/p-1


name: Phenyracillin
cas: 7009-88-3
formula: C16H18N2O4S.1/2C16H18N2
inchikey: IAKOCPCZBRUQBM-ANPZCEIESA-N
norman_susdat_id: NS00080987
inchi:
InChI=1/2C16H18N2O4S.C16H18N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-13(8-4-1)15-11-18-16(12-17-15)14-9-5-2-6-10-14/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,15-18H,11-12H2

smiles:
CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CC4(C)S[C@@H]5[C@H](NC(=O)Cc6ccccc6)C(=O)N5[C@H]4C(=O)O.C7NC(CNC7c8ccccc8)c9ccccc9


name: Sebacic acid, compound with 2,2',2''-nitrilotriethanol
cas: 70103-35-4
formula: C10H18O4.xC6H15NO3
inchikey: LDTRLQFRPHFLGA-UHFFFAOYSA-N
norman_susdat_id: NS00090887
smiles: OCCN(CCO)CCO.OC(=O)CCCCCCCCC(=O)O
inchi:
InChI=1/C10H18O4.C6H15NO3/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;8-4-1-7(2-5-9)3-6-10/h1-8H2,(H,11,12)(H,13,14);8-10H,1-6H2


name: Potassium butylnaphthalenesulphonate
cas: 70106-65-9
formula: C14H16O3S.K
inchikey: BZCOUYXELMSGFL-UHFFFAOYSA-M
norman_susdat_id: NS00090797
smiles: [K+].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-]
inchi:
InChI=1/C14H16O3S.K/c1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)18(15,16)17;/h4-5,7-10H,2-3,6H2,1H3,(H,15,16,17);/q;+1/p-1


name: 1,3-Benzenediol, 5-heneicosyl-
cas: 70110-59-7
chebiid: CHEBI:166655
dtxsid: DTXSID50220397
formula: C27H48O2
inchikey: BLHLKJLSYHEOGY-UHFFFAOYSA-N
norman_susdat_id: NS00077048
smiles: CCCCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1
inchi:
InChI=1S/C27H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-22-26(28)24-27(29)23-25/h22-24,28-29H,2-21H2,1H3


name: 1,3-Benzenediol, 5-tricosyl-
cas: 70110-60-0
chebiid: CHEBI:145969
dtxsid: DTXSID10220398
formula: C29H52O2
inchikey: OHTBGMREZYLZQD-UHFFFAOYSA-N
norman_susdat_id: NS00076984
smiles: CCCCCCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1
inchi:
InChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h24-26,30-31H,2-23H2,1H3


name: 1,3-Benzenediol, 5-pentacosyl-
cas: 70110-61-1
dtxsid: DTXSID70220399
formula: C31H56O2
inchikey: GDJMJAKVVSGNLA-UHFFFAOYSA-N
norman_susdat_id: NS00077093
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(O)=CC(O)=C1
inchi:
InChI=1S/C31H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h26-28,32-33H,2-25H2,1H3


name: 2,3,6,7-tetraphenylimidazo[1,2-b][1,2,4]triazine
cas: 70111-81-8
dtxsid: DTXSID40220402
formula: C29H20N4
inchikey: YDWJRKLTCQTYIH-UHFFFAOYSA-N
norman_susdat_id: NS00061721
pubchem_cid: 4178813
smiles: N=1C2=NC(C=3C=CC=CC3)=C(C4=CC=CC=C4)N2N=C(C=5C=CC=CC5)C1C=6C=CC=CC6
inchi:
InChI=1/C29H20N4/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)32-33-28(24-19-11-4-12-20-24)27(31-29(33)30-25)23-17-9-3-10-18-23/h1-20H


name: (S)-4-(2-methylbutyl)phenyl 4'-octyl[1,1'-biphenyl]-4-carboxylate
cas: 70116-35-7
dtxsid: DTXSID00887691
formula: C32H40O2
inchikey: YNJUMESZHDXQSZ-VWLOTQADSA-N
norman_susdat_id: NS00061904
pubchem_cid: 21118879
smiles: O=C(OC1=CC=C(C=C1)CC(C)CC)C=2C=CC(=CC2)C3=CC=C(C=C3)CCCCCCCC
inchi:
InChI=1/C32H40O2/c1-4-6-7-8-9-10-11-26-12-16-28(17-13-26)29-18-20-30(21-19-29)32(33)34-31-22-14-27(15-23-31)24-25(3)5-2/h12-23,25H,4-11,24H2,1-3H3


name: 2-Chloro-N-[(stearylamino)carbonyl]ethanesulfonamide
cas: 70117-12-3
chemspiderid: 100717
dtxsid: DTXSID9072028
formula: C21H43Cl1N2O3S1
inchikey: UGURZQIXJUOTML-UHFFFAOYSA-N
norman_susdat_id: NS00037008
pubchem_cid: 112361
smiles: CCCCCCCCCCCCCCCCCCNC(=O)NS(=O)(=O)CCCl
inchi:
InChI=1S/C21H43ClN2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21(25)24-28(26,27)20-18-22/h2-20H2,1H3,(H2,23,24,25)


name: 1-(2-bromobenzenesulfonyl)-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1h-indole
cas: 701205-60-9
formula: C21H24BrN3O3S
inchikey: GWCYPEHWIZXYFZ-UHFFFAOYSA-N
norman_susdat_id: NS00073372
pubchem_cid: 10073773
smiles: COc1ccc2c(c1)c(CN1CCN(C)CC1)cn2S(=O)(=O)c1ccccc1Br
inchi:
InChI=1S/C21H24BrN3O3S/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22/h3-8,13,15H,9-12,14H2,1-2H3


name: Flucythrinate
cas: 70124-77-5
chebiid: CHEBI:34763
chemspiderid: 46213
dtxsid: DTXSID0022301
formula: C26H23F2N1O4
inchikey: GBIHOLCMZGAKNG-CGAIIQECSA-N
norman_susdat_id: NS00002275
pubchem_cid: 50980
smiles: CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1
eea_notation: CAS_70124-77-5
inchi:
InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3/t23?,24-/m0/s1


name: 9-ß-D-arabinofuranosyl-1,9-dihydro-6H-purin-6-one
cas: 7013-16-3
formula: C10H12N4O5
inchikey: UGQMRVRMYYASKQ-UHTZMRCNSA-N
norman_susdat_id: NS00080753
smiles: OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n2cnc3C(=O)NC=Nc23
inchi:
InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)


name: Talopram
cas: 7013-41-4
dtxsid: DTXSID10864019
formula: C20H25NO
inchikey: LJBBMCNHIUJBDU-FQEVSTJZSA-N
norman_susdat_id: NS00068727
smiles: CNCCC[C@@]1(c2ccccc2)OC(C)(C)c2ccccc21
inchi:
InChI=1S/C20H25NO/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3/t20-/m0/s1


name: Pimonidazole
cas: 70132-50-2
dtxsid: DTXSID50867867
formula: C11H18N4O3
inchikey: WVWOOAYQYLJEFD-SNVBAGLBSA-N
norman_susdat_id: NS00068055
pubchem_cid: 3246687
smiles: O=[N+]([O-])c1nccn1C[C@H](O)CN1CCCCC1
inchi:
InChI=1S/C11H18N4O3/c16-10(8-13-5-2-1-3-6-13)9-14-7-4-12-11(14)15(17)18/h4,7,10,16H,1-3,5-6,8-9H2/t10-/m1/s1


name: 6a,9-difluoro-11ß,17,21-trihydroxy-16a-methylpregn-4-ene-3,20-dione 21-pivalate
cas: 70141-41-2
dtxsid: DTXSID30220416
formula: C27H38F2O6
inchikey: QBXIYKBVNIQEKQ-OJAGFMMFSA-N
norman_susdat_id: NS00061341
pubchem_cid: 56841532
smiles: O=C1C=C2C(F)CC3C4CC(C)C(O)(C(=O)COC(=O)C(C)(C)C)C4(C)CC(O)C3(F)C2(C)CC1
inchi:
InChI=1/C27H38F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h10,14,16-17,19-20,31,34H,7-9,11-13H2,1-6H3


name: Phenylbutazone calcium
cas: 70145-60-7
formula: C19H19N2O2.1/2Ca
inchikey: OGWKMVUTLOMRBC-UHFFFAOYSA-N
norman_susdat_id: NS00090798
smiles: [Ca+2].CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
inchi:
InChI=1/C19H20N2O2.Ca/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;/h4-13,17H,2-3,14H2,1H3;/q;+2


name: [2,2'-dichloro[1,1'-biphenyl]-4,4'-diyl]diammonium sulphate
cas: 70146-07-5
formula: C12H10Cl2N2.H2O4S
inchikey: LBERMVXGBPSNNZ-UHFFFAOYSA-N
norman_susdat_id: NS00091396
smiles: [NH3+]c1ccc(c(Cl)c1)c2ccc([NH3+])cc2Cl.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C12H10Cl2N2.H2O4S/c13-11-5-7(15)1-3-9(11)10-4-2-8(16)6-12(10)14;1-5(2,3)4/h1-6H,15-16H2;(H2,1,2,3,4)


name: 2-Ethoxyethyl [3-(diethylamino)phenyl]carbamate
cas: 70146-08-6
chemspiderid: 100719
dtxsid: DTXSID3072030
formula: C15H24N2O3
inchikey: RZHNDBVTCQOYCF-UHFFFAOYSA-N
norman_susdat_id: NS00037010
pubchem_cid: 112363
smiles: CCOCCOC(=O)Nc1cc(ccc1)N(CC)CC
inchi:
InChI=1S/C15H24N2O3/c1-4-17(5-2)14-9-7-8-13(12-14)16-15(18)20-11-10-19-6-3/h7-9,12H,4-6,10-11H2,1-3H3,(H,16,18)


name: Disodium oxybis[decylbenzenesulphonate]
cas: 70146-13-3
dtxsid: DTXSID60890040
formula: C32H50O7S2
inchikey: YEQDPGNXYXJTLM-UHFFFAOYSA-L
norman_susdat_id: NS00061722
pubchem_cid: 23366630
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(OC2=CC=CC(=C2CCCCCCCCCC)S(=O)(=O)[O-])C1CCCCCCCCCC
inchi:
InChI=1/C32H50O7S2.2Na/c1-3-5-7-9-11-13-15-17-21-27-29(23-19-25-31(27)40(33,34)35)39-30-24-20-26-32(41(36,37)38)28(30)22-18-16-14-12-10-8-6-4-2;;/h19-20,23-26H,3-18,21-22H2,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2


name: Bis(2-ethylheptyl) phthalate
cas: 70152-36-2
dtxsid: DTXSID20990398
formula: C26H42O4
inchikey: SGKJLUZIKNCQOM-UHFFFAOYSA-N
norman_susdat_id: NS00061905
pubchem_cid: 3017990
smiles: O=C(OCC(CC)CCCCC)C=1C=CC=CC1C(=O)OCC(CC)CCCCC
inchi:
InChI=1/C26H42O4/c1-5-9-11-15-21(7-3)19-29-25(27)23-17-13-14-18-24(23)26(28)30-20-22(8-4)16-12-10-6-2/h13-14,17-18,21-22H,5-12,15-16,19-20H2,1-4H3


name: 5-[2-[[3-(1,3-benzodioxol-5-yl)-1-methylpropyl]amino]-1-hydroxyethyl]salicylamide monohydrochloride
cas: 70161-10-3
formula: C20H24N2O5.ClH
inchikey: YYWISFWLJSVFOF-UHFFFAOYSA-N
norman_susdat_id: NS00090799
smiles: Cl.CC(CCc1ccc2OCOc2c1)NCC(O)c3ccc(O)c(c3)C(=O)N
inchi:
InChI=1/C20H24N2O5.ClH/c1-12(2-3-13-4-7-18-19(8-13)27-11-26-18)22-10-17(24)14-5-6-16(23)15(9-14)20(21)25;/h4-9,12,17,22-24H,2-3,10-11H2,1H3,(H2,21,25);1H


cas: 70161-14-7
chemspiderid: 85412
dtxsid: DTXSID3072032
formula: C20H16Cl1N9O10S3
inchikey: DSKGJDYCSBLEMI-UHFFFAOYSA-K
norman_susdat_id: NS00020338
pubchem_cid: 101531228
name:
1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]-, trisodium salt

inchi:
InChI=1S/C20H16ClN9O10S3/c21-17-26-18(22)28-20(27-17)24-9-1-2-12(13(5-9)25-19(23)31)29-30-14-7-11-8(4-16(14)43(38,39)40)3-10(41(32,33)34)6-15(11)42(35,36)37/h1-7H,(H3,23,25,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H3,22,24,26,27,28)/b30-29+

smiles:
[Na+].[Na+].[Na+].NC(=O)Nc1cc(Nc2nc(Cl)nc(N)n2)ccc1N=Nc1c(cc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]


cas: 70161-15-8
dtxsid: DTXSID80890042
formula: C46H34Cl2N18O20S6
inchikey: OSHPPLKDLUFFQM-UHFFFAOYSA-H
norman_susdat_id: NS00062966
pubchem_cid: NA
name:
Hexasodium 7,7'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bis(naphthalene-1,3,6-trisulphonate)

inchi:
InChI=1/C46H34Cl2N18O20S6.6Na/c47-39-57-43(61-45(59-39)53-23-5-7-29(31(13-23)55-41(49)67)63-65-33-17-27-19(11-37(33)91(81,82)83)9-25(87(69,70)71)15-35(27)89(75,76)77)51-21-1-2-22(4-3-21)52-44-58-40(48)60-46(62-44)54-24-6-8-30(32(14-24)56-42(50)68)64-66-34-18-28-20(12-38(34)92(84,85)86)10-26(88(72,73)74)16-36(28)90(78,79)80;;;;;;/h1-18H,(H3,49,55,67)(H3,50,56,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H2,51,53,57,59,61)(H2,52,54,58,60,62);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=C(N)NC1=CC(=CC=C1N=NC=2C=C3C(C=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])NC=4N=C(Cl)N=C(N4)NC5=CC=C(C=C5)NC6=NC(Cl)=NC(=N6)NC7=CC=C(N=NC=8C=C9C(C=C(C=C9S(=O)(=O)[O-])S(=O)(=O)[O-])=CC8S(=O)(=O)[O-])C(=C7)NC(=O)N


cas: 70161-16-9
dtxsid: DTXSID40890043
formula: C29H20ClN9O12S4
inchikey: SKGZHFQLKYFSHX-UHFFFAOYSA-J
norman_susdat_id: NS00061906
pubchem_cid: NA
name:
Tetrasodium 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulphonato-1-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]benzene-1,4-disulphonate

inchi:
InChI=1/C29H20ClN9O12S4.4Na/c30-27-33-28(31)35-29(34-27)32-22-10-9-20(17-2-1-3-25(26(17)22)55(49,50)51)37-36-19-7-8-21(18-12-14(52(40,41)42)4-6-16(18)19)38-39-23-13-15(53(43,44)45)5-11-24(23)54(46,47)48;;;;/h1-13H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H3,31,32,33,34,35);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C(N=NC2=CC=C(N=NC=3C=CC(NC=4N=C(Cl)N=C(N4)N)=C5C3C=CC=C5S(=O)(=O)[O-])C=6C=CC(=CC26)S(=O)(=O)[O-])=C1)S(=O)(=O)[O-]


cas: 70161-17-0
dtxsid: DTXSID00890044
formula: C29H20ClN9O12S4
inchikey: HNZPAQUVYHXZEJ-UHFFFAOYSA-J
norman_susdat_id: NS00061931
pubchem_cid: NA
name:
Tetrasodium 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulphonato-1-naphthyl]azo]-6-sulphonato-1-naphthyl]azo]benzene-1,4-disulphonate

inchi:
InChI=1/C29H20ClN9O12S4.4Na/c30-27-33-28(31)35-29(34-27)32-22-10-9-20(17-2-1-3-25(26(17)22)55(49,50)51)37-38-21-8-7-19(16-6-4-14(12-18(16)21)52(40,41)42)36-39-23-13-15(53(43,44)45)5-11-24(23)54(46,47)48;;;;/h1-13H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H3,31,32,33,34,35);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C(N=NC2=CC=C(N=NC=3C=CC(NC=4N=C(Cl)N=C(N4)N)=C5C3C=CC=C5S(=O)(=O)[O-])C=6C=C(C=CC26)S(=O)(=O)[O-])=C1)S(=O)(=O)[O-]


cas: 70161-18-1
dtxsid: DTXSID60890045
formula: C47H38N6O12S4
inchikey: YSXLJTGZMRNQSG-UHFFFAOYSA-L
norman_susdat_id: NS00062967
pubchem_cid: 166098
name:
Disodium 5,5'-[(1-methylethylidene)bis(4,1-phenyleneoxysulphonyl-2,1-phenyleneazo)]bis[6-aminonaphthalene-1-sulphonate]

inchi:
InChI=1/C47H38N6O12S4.2Na/c1-47(2,29-17-21-31(22-18-29)64-68(60,61)43-13-5-3-11-39(43)50-52-45-35-9-7-15-41(66(54,55)56)33(35)25-27-37(45)48)30-19-23-32(24-20-30)65-69(62,63)44-14-6-4-12-40(44)51-53-46-36-10-8-16-42(67(57,58)59)34(36)26-28-38(46)49;;/h3-28H,48-49H2,1-2H3,(H,54,55,56)(H,57,58,59);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=CC2=C(N=NC=3C=CC=CC3S(=O)(=O)OC4=CC=C(C=C4)C(C5=CC=C(OS(=O)(=O)C=6C=CC=CC6N=NC=7C(N)=CC=C8C7C=CC=C8S(=O)(=O)[O-])C=C5)(C)C)C(N)=CC=C21


name: Tricyclohexyl(dithiocarboxylato)phosphonium
cas: 70165-72-9
dtxsid: DTXSID90220432
formula: C19H35PS2
inchikey: GWEPSLUVJLFJOL-UHFFFAOYSA-N
norman_susdat_id: NS00063016
pubchem_cid: NA
smiles: S=C(S)P(C1CCCCC1)(C2CCCCC2)C3CCCCC3
inchi:
InChI=1/C19H35PS2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18,20H,1-15H2,(H,21,22)


name: 2-ethyl-9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazolium acetate
cas: 70173-24-9
dtxsid: DTXSID70220455
formula: C19H19N2O
inchikey: WKGUXODNZRETGT-UHFFFAOYSA-N
norman_susdat_id: NS00061398
pubchem_cid: 3085419
smiles: O=C([O-])C.OC1=CC=C2NC=3C(C2=C1)=C(C=4C=[N+](C=CC4C3C)CC)C
inchi:
InChI=1/C19H18N2O.C2H4O2/c1-4-21-8-7-14-12(3)19-18(11(2)16(14)10-21)15-9-13(22)5-6-17(15)20-19;1-2(3)4/h5-10,22H,4H2,1-3H3;1H3,(H,3,4)


name: 2-hydroxy-3-[(1-oxoallyl)oxy]propyl 2-[(1-oxoallyl)oxy]ethyl tetrapropenylsuccinate
cas: 70179-76-9
formula: C27H36O9
inchikey: QHVWFYAKXFCZIX-UHFFFAOYSA-N
norman_susdat_id: NS00063017
pubchem_cid: 71440001
smiles: O=C(OCCOC(=O)C(C=CC)(C=CC)C(C=CC)(C=CC)C(=O)OCC(O)COC(=O)C=C)C=C
inchi:
InChI=1/C27H36O9/c1-7-13-26(14-8-2,24(31)34-18-17-33-22(29)11-5)27(15-9-3,16-10-4)25(32)36-20-21(28)19-35-23(30)12-6/h7-16,21,28H,5-6,17-20H2,1-4H3


cas: 70179-77-0
chemspiderid: 100722
dtxsid: DTXSID8072033
formula: C28H30N2O8S1
inchikey: JHAWQFNAZVTBHV-UHFFFAOYSA-M
norman_susdat_id: NS00019919
pubchem_cid: 23668800
smiles: [Na+].COCCOCCOc1c(N)c2c(C(=O)c3ccccc3C2=O)c(Nc2c(C)cc(C)c(c2C)S(=O)(=O)[O-])c1
name:
Benzenesulfonic acid, 3-[[4-amino-9,10-dihydro-3-[2-(2-methoxyethoxy)ethoxy]-9,10-dioxo-1-anthracenyl]amino]-2,4,6-trimethyl-, monosodium salt

inchi:
InChI=1S/C28H30N2O8S/c1-15-13-16(2)28(39(33,34)35)17(3)25(15)30-20-14-21(38-12-11-37-10-9-36-4)24(29)23-22(20)26(31)18-7-5-6-8-19(18)27(23)32/h5-8,13-14,30H,9-12,29H2,1-4H3,(H,33,34,35)


name: 2-[(3a,4,5,6,7,7a-hexahydro-4,7-methano-1H-indenyl)oxy]ethyl methacrylate
cas: 70191-60-5
dtxsid: DTXSID5041302
formula: C16H22O3
inchikey: ULPUFTCUHBFSOE-UHFFFAOYSA-N
norman_susdat_id: NS00061399
pubchem_cid: 129819
smiles: O=C(OCCOC1C=CC2C3CCC(C3)C12)C(=C)C
inchi:
InChI=1/C16H22O3/c1-10(2)16(17)19-8-7-18-14-6-5-13-11-3-4-12(9-11)15(13)14/h5-6,11-15H,1,3-4,7-9H2,2H3


name: Benzenesulfonic acid, oxybis[hexadecyl-, sodium salt (1:2)
cas: 70191-76-3
chemspiderid: 23352408
dtxsid: DTXSID40890048
formula: C44H74O7S2
inchikey: AVEPCILTPRNQMH-UHFFFAOYSA-L
norman_susdat_id: NS00019920
pubchem_cid: NA
smiles: CCCCCCCCCCCCCCCCc1c(cccc1S(=O)(=O)[O-])Oc2cccc(c2CCCCCCCCCCCCCCCC)S(=O)(=O)[O-].[Na+].[Na+]
inchi:
InChI=1S/C44H74O7S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-39-41(35-31-37-43(39)52(45,46)47)51-42-36-32-38-44(53(48,49)50)40(42)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,35-38H,3-30,33-34H2,1-2H3,(H,45,46,47)(H,48,49,50)


name: Bis[2-(2-butoxyethoxy)ethyl] butanedioate
cas: 701920-77-6
chemspiderid: 17983037
dtxsid: DTXSID40609814
formula: C20H38O8
inchikey: QICCAJUIJTYFGF-UHFFFAOYSA-N
norman_susdat_id: NS00006591
pubchem_cid: 20788547
smiles: CCCCOCCOCCOC(=O)CCC(=O)OCCOCCOCCCC
inchi:
InChI=1S/C20H38O8/c1-3-5-9-23-11-13-25-15-17-27-19(21)7-8-20(22)28-18-16-26-14-12-24-10-6-4-2/h3-18H2,1-2H3


name: N-(1-Butoxy-2,2,2-trichloroethyl)-2-hydroxybenzamide
cas: 70193-21-4
chebiid: CHEBI:82058
chemspiderid: 102984
dtxsid: DTXSID00867877
formula: C13H16Cl3N1O3
inchikey: NHTFLYKPEGXOAN-UHFFFAOYSA-N
norman_susdat_id: NS00015298
pubchem_cid: 115078
smiles: CCCCOC(C(Cl)(Cl)Cl)NC(=O)C1=CC=CC=C1O
inchi:
InChI=1S/C13H16Cl3NO3/c1-2-3-8-20-12(13(14,15)16)17-11(19)9-6-4-5-7-10(9)18/h4-7,12,18H,2-3,8H2,1H3,(H,17,19)


name: Benzenamine, 4-[[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)methyl]azo]-N-phenyl-
cas: 70198-16-2
chemspiderid: 2299290
dtxsid: DTXSID3072038
formula: C24H24N4
inchikey: YIKSGDFROXRTNK-UHFFFAOYSA-N
norman_susdat_id: NS00037014
pubchem_cid: 112377
smiles: CN1c2ccccc2C(C)(C)/C/1=CN=Nc1ccc(Nc2ccccc2)cc1
inchi:
InChI=1S/C24H24N4/c1-24(2)21-11-7-8-12-22(21)28(3)23(24)17-25-27-20-15-13-19(14-16-20)26-18-9-5-4-6-10-18/h4-17,26H,1-3H3/b23-17+,27-25+


name: Ethanol, 2-[[4-[(6-chloro-2-benzothiazolyl)azo]phenyl]ethylamino]-, acetate (ester)
cas: 70198-17-3
chemspiderid: 100732
dtxsid: DTXSID8072039
formula: C19H19Cl1N4O2S1
inchikey: ULNIIFVEDJYBOZ-UHFFFAOYSA-N
norman_susdat_id: NS00037015
pubchem_cid: 112378
smiles: CCN(CCOC(=O)C)c1ccc(cc1)N=Nc1nc2ccc(Cl)cc2s1
inchi:
InChI=1S/C19H19ClN4O2S/c1-3-24(10-11-26-13(2)25)16-7-5-15(6-8-16)22-23-19-21-17-9-4-14(20)12-18(17)27-19/h4-9,12H,3,10-11H2,1-2H3/b23-22+


name: 3,6,9,12-tetraoxanonacosyl dihydrogen phosphate
cas: 70198-18-4
dtxsid: DTXSID7072040
formula: C25H53O8P
inchikey: MPESRJWPJGWNME-UHFFFAOYSA-N
norman_susdat_id: NS00063038
pubchem_cid: 112379
smiles: O=P(O)(O)OCCOCCOCCOCCOCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C25H53O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-18-19-30-20-21-31-22-23-32-24-25-33-34(26,27)28/h2-25H2,1H3,(H2,26,27,28)


cas: 70198-22-0
formula: C16H26O4S
norman_susdat_id: NS00101587
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(2-sulfoethyl)-.omega.-[[2,2,4(or 2,4,4)-trimethylpentyl]phenoxy]-, sodium salt


name: (20beta)-3,11-Dioxoolean-12-en-29-oic acid
cas: 7020-50-0
chebiid: CHEBI:16404
chemspiderid: 19977584
dtxsid: DTXSID70220470
formula: C30H44O4
inchikey: QGWDYPREORDRIT-LPXJIFNVSA-N
norman_susdat_id: NS00037019
pubchem_cid: 111253
smiles: CC1(C)[C@@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(=O)O)[C@@]2(C)CCC1=O
inchi:
InChI=1S/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,23+,26+,27-,28-,29+,30+/m0/s1


name: Clidinium
cas: 7020-55-5
chebiid: CHEBI:95170
chemspiderid: 2682
dtxsid: DTXSID6045379
formula: C22H26N1O3
inchikey: HOOSGZJRQIVJSZ-UHFFFAOYSA-N
norman_susdat_id: NS00009944
pubchem_cid: 2784
smiles: C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1


name: Benzoic acid, 4-[(4-chlorobenzoyl)amino]-
cas: 70204-56-7
chemspiderid: 4495428
dtxsid: DTXSID20416765
formula: C14H10Cl1N1O3
inchikey: LEQBFRNHOFVPEH-UHFFFAOYSA-N
norman_susdat_id: NS00040829
pubchem_cid: 5338312
smiles: OC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
inchi:
InChI=1S/C14H10ClNO3/c15-11-5-1-9(2-6-11)13(17)16-12-7-3-10(4-8-12)14(18)19/h1-8H,(H,16,17)(H,18,19)


cas: 70206-24-5
dtxsid: DTXSID7052448
formula: C41H78N3O
inchikey: ASOLQNQTXIEOPJ-YIQDKWKASA-N
norman_susdat_id: NS00061984
pubchem_cid: 53470847
smiles: O=C(NCC[N+]1(C(=NCC1)CCCCCCCC=CCCCCCCCC)C)CCCCCCCC=CCCCCCCCC.O=S(=O)([O-])OC
name:
(Z,Z)-2-(8-heptadecenyl)-4,5-dihydro-1-methyl-1-[2-[(1-oxo-9-octadecenyl)amino]ethyl]-1H-imidazolium methyl sulphate

inchi:
InChI=1/C41H77N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-38-44(40,3)39-37-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21H,4-17,22-39H2,1-3H3;1H3,(H,2,3,4)


cas: 70208-51-4
formula: C25H22N4O8S2.2K
inchikey: WJJGFIWYCCCZFT-UHFFFAOYSA-L
norman_susdat_id: NS00091441
smiles: [K+].[K+].[O-]S(=O)(=O)c1ccc(cc1)n4nc(C)c(C=CC=CC=C3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)c4O
name:
Dipotassium p-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C25H22N4O8S2.2K/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;;/h3-15,30H,1-2H3,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2


name: Ivermectin B1b
cas: 70209-81-3
chebiid: CHEBI:63943
dtxsid: DTXSID3023182
formula: C47H72O14
inchikey: VARHUCVRRNANBD-PVVXTEPVSA-N
norman_susdat_id: NS00093438
inchi:
InChI=1/C47H72O14/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/h11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3

smiles:
CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]3[C@@H](C)\C=C\C=C\4/CO[C@@H]5[C@H](O)C(=C[C@@H](C(=O)O[C@H]6C[C@@H](C\C=C\3/C)O[C@@]7(CC[C@H](C)[C@H](O7)C(C)C)C6)[C@]45O)C)O[C@@H](C)[C@@H]1O


cas: 70209-88-0
dtxsid: DTXSID00890049
formula: C39H29N7O15S2
inchikey: UAUWAILLMHXISG-UHFFFAOYSA-J
norman_susdat_id: NS00061767
pubchem_cid: NA
name:
Tetrasodium 5-[[4-[[6-[[2-[(2-carboxylatophenyl)azo]-1,3-dioxobutyl]amino]-2-hydroxy-4-sulphonato-1-naphthyl]azo]-3-methoxy-7-sulphonato-1-naphthyl]azo]salicylate

inchi:
InChI=1/C39H29N7O15S2.4Na/c1-18(47)34(44-42-28-6-4-3-5-24(28)38(51)52)37(50)40-19-7-10-23-26(13-19)33(63(58,59)60)17-31(49)35(23)45-46-36-22-11-9-21(62(55,56)57)15-25(22)29(16-32(36)61-2)43-41-20-8-12-30(48)27(14-20)39(53)54;;;;/h3-17,34,48-49H,1-2H3,(H,40,50)(H,51,52)(H,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C=1C=CC=CC1N=NC(C(=O)NC2=CC=C3C(N=NC=4C(OC)=CC(N=NC5=CC=C(O)C(=C5)C(=O)[O-])=C6C=C(C=CC46)S(=O)(=O)[O-])=C(O)C=C(C3=C2)S(=O)(=O)[O-])C(=O)C


cas: 70209-90-4
dtxsid: DTXSID7072042
formula: C48H35N9O19S4
inchikey: GWUTVSJRONXQFI-UHFFFAOYSA-I
norman_susdat_id: NS00063039
pubchem_cid: NA
name:
Pentasodium 5-[[3-[[[4-[[4-[[8-[(3-aminobenzoyl)amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-3-methoxy-7-sulphonato-1-naphthyl]azo]-3-sulphonatophenyl]amino]carbonyl]phenyl]azo]salicylate

inchi:
InChI=1/C48H35N9O19S4.5Na/c1-76-39-22-36(55-54-35-12-8-27(19-40(35)79(70,71)72)50-46(60)24-5-3-7-28(15-24)52-53-29-9-13-38(58)34(18-29)48(62)63)33-20-30(77(64,65)66)10-11-32(33)43(39)56-57-44-41(80(73,74)75)17-25-16-31(78(67,68)69)21-37(42(25)45(44)59)51-47(61)23-4-2-6-26(49)14-23;;;;;/h2-22,58-59H,49H2,1H3,(H,50,60)(H,51,61)(H,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=CC(=C2)C(=O)NC3=CC=C(N=NC=4C=C(OC)C(N=NC=5C(O)=C6C(C=C(C=C6NC(=O)C=7C=CC=C(N)C7)S(=O)(=O)[O-])=CC5S(=O)(=O)[O-])=C8C=CC(=CC48)S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])=CC=C1O


cas: 70209-93-7
dtxsid: DTXSID60889994
formula: C34H23ClN8O12S4
inchikey: HMGBQRTWANMSHV-UHFFFAOYSA-J
norman_susdat_id: NS00063040
pubchem_cid: NA
name:
Tetrasodium 2-[[8-[[4-chloro-6-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]benzoate

inchi:
InChI=1/C34H23ClN8O12S4.4Na/c1-15-6-11-22-28(29(15)59(53,54)55)56-30(37-22)16-7-9-18(10-8-16)36-33-39-32(35)40-34(41-33)38-23-14-19(57(47,48)49)12-17-13-24(58(50,51)52)26(27(44)25(17)23)43-42-21-5-3-2-4-20(21)31(45)46;;;;/h2-14,44H,1H3,(H,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,36,38,39,40,41);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C=1C=CC=CC1N=NC=2C(O)=C3C(C=C(C=C3NC=4N=C(Cl)N=C(N4)NC5=CC=C(C=C5)C6=NC=7C=CC(=C(C7S6)S(=O)(=O)[O-])C)S(=O)(=O)[O-])=CC2S(=O)(=O)[O-]


name: Sodium 2,5-dichloro-4-(1,3-dihydro-5,7-dinitro-3-oxo-2H-indazol-2-yl)benzenesulphonate
cas: 70209-94-8
dtxsid: DTXSID80887533
formula: C13H8Cl2N4O8S
inchikey: MCTOMHNFFBXERI-UHFFFAOYSA-M
norman_susdat_id: NS00061768
pubchem_cid: 172474
smiles: [Na+].O=C1C=2C=C(C=C(C2NN1C3=CC(Cl)=C(C=C3Cl)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C13H6Cl2N4O8S.Na/c14-7-4-11(28(25,26)27)8(15)3-9(7)17-13(20)6-1-5(18(21)22)2-10(19(23)24)12(6)16-17;/h1-4,16H,(H,25,26,27);/q;+1/p-1


name: Sodium 6-amino-4-hydroxy-5-[[2-(phenoxysulphonyl)phenyl]azo]naphthalene-2-sulphonate
cas: 70209-95-9
dtxsid: DTXSID40887534
formula: C22H17N3O7S2
inchikey: DWJGKWGUTNRSPV-UHFFFAOYSA-M
norman_susdat_id: NS00061432
pubchem_cid: 172477
smiles: [Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC=3C=CC=CC3S(=O)(=O)OC=4C=CC=CC4)=C1
inchi:
InChI=1/C22H17N3O7S2.Na/c23-17-11-10-14-12-16(33(27,28)29)13-19(26)21(14)22(17)25-24-18-8-4-5-9-20(18)34(30,31)32-15-6-2-1-3-7-15;/h1-13,26H,23H2,(H,27,28,29);/q;+1/p-1


cas: 70209-96-0
dtxsid: DTXSID00887535
formula: C26H24ClN3O6S
inchikey: UWJYABMDWCUUTF-UHFFFAOYSA-M
norman_susdat_id: NS00062008
pubchem_cid: 166105
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=C(C=C(C(=C4C)CNC(=O)CCl)C)C)=C13)S(=O)(=O)[O-]
name:
Sodium 1-amino-4-[[3-[[(chloroacetyl)amino]methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C26H24ClN3O6S.Na/c1-12-8-13(2)24(14(3)17(12)11-29-20(31)10-27)30-18-9-19(37(34,35)36)23(28)22-21(18)25(32)15-6-4-5-7-16(15)26(22)33;/h4-9,30H,10-11,28H2,1-3H3,(H,29,31)(H,34,35,36);/q;+1/p-1


cas: 70209-97-1
dtxsid: DTXSID60887536
formula: C25H22ClN5O7S2
inchikey: AKBHFYHWZKSDLH-UHFFFAOYSA-M
norman_susdat_id: NS00062009
pubchem_cid: NA
smiles: [Na+].O=C(NC1=CC=C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)NC=4C=CC=CC4C)C(=C1)S(=O)(=O)[O-])CCl
name:
Sodium 2-[[2-amino-8-hydroxy-6-[(methylanilino)sulphonyl]-1-naphthyl]azo]-5-(chloroacetamido)benzenesulphonate

inchi:
InChI=1/C25H22ClN5O7S2.Na/c1-14-4-2-3-5-19(14)31-39(34,35)17-10-15-6-8-18(27)25(24(15)21(32)12-17)30-29-20-9-7-16(28-23(33)13-26)11-22(20)40(36,37)38;/h2-12,31-32H,13,27H2,1H3,(H,28,33)(H,36,37,38);/q;+1/p-1


cas: 70209-99-3
dtxsid: DTXSID20889995
formula: C23H16BrN3O9S2
inchikey: BCENAVMKNRCXMQ-UHFFFAOYSA-L
norman_susdat_id: NS00062010
pubchem_cid: 166109
name:
Disodium 1-amino-4-[[4-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C23H16BrN3O9S2.2Na/c1-10(24)23(30)26-11-6-7-14(16(8-11)37(31,32)33)27-15-9-17(38(34,35)36)20(25)19-18(15)21(28)12-4-2-3-5-13(12)22(19)29;;/h2-9,27H,1,25H2,(H,26,30)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(NC=2C=C(C(N)=C3C(=O)C=4C=CC=CC4C(=O)C23)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-])C(Br)=C


cas: 70210-00-3
formula: C29H21Br2N5O13S3.3Na
inchikey: IRCYJZISJKRUHJ-UHFFFAOYSA-K
norman_susdat_id: NS00090684
name:
Trisodium 5-[[4-[(2-bromo-1-oxoallyl)amino]benzoyl]amino]-3-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C29H21Br2N5O13S3.3Na/c1-13(30)27(38)32-17-5-3-15(4-6-17)29(40)34-21-12-19(50(41,42)43)9-16-10-23(52(47,48)49)25(26(37)24(16)21)36-35-20-11-18(33-28(39)14(2)31)7-8-22(20)51(44,45)46;;;/h3-12,37H,1-2H2,(H,32,38)(H,33,39)(H,34,40)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].BrC(=C)C(=O)Nc1ccc(cc1)C(=O)Nc3cc(cc4cc(c(N=Nc2cc(NC(=O)C(Br)=C)ccc2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O


cas: 70210-01-4
dtxsid: DTXSID40889997
formula: C29H21Br2N5O13S3
inchikey: GPTGXGSVAYWNAM-UHFFFAOYSA-K
norman_susdat_id: NS00063064
pubchem_cid: 166111
name:
Trisodium 5-[[3-[(2-bromo-1-oxoallyl)amino]benzoyl]amino]-3-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C29H21Br2N5O13S3.3Na/c1-13(30)27(38)32-17-5-3-4-15(8-17)29(40)34-21-12-19(50(41,42)43)9-16-10-23(52(47,48)49)25(26(37)24(16)21)36-35-20-11-18(33-28(39)14(2)31)6-7-22(20)51(44,45)46;;;/h3-12,37H,1-2H2,(H,32,38)(H,33,39)(H,34,40)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=CC(=C1)C(=O)NC2=CC(=CC3=CC(=C(N=NC4=CC(=CC=C4S(=O)(=O)[O-])NC(=O)C(Br)=C)C(O)=C32)S(=O)(=O)[O-])S(=O)(=O)[O-])C(Br)=C


name: [p-[(4-amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino]benzyl]trimethylammonium chloride
cas: 70210-03-6
dtxsid: DTXSID80887538
formula: C24H24N3O2
inchikey: YWQGBEZVKSQFGW-UHFFFAOYSA-N
norman_susdat_id: NS00063065
pubchem_cid: 112385
smiles: [Cl-].O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(N)C13)NC4=CC=C(C=C4)C[N+](C)(C)C
inchi:
InChI=1/C24H23N3O2.ClH/c1-27(2,3)14-15-8-10-16(11-9-15)26-20-13-12-19(25)21-22(20)24(29)18-7-5-4-6-17(18)23(21)28;/h4-13H,14H2,1-3H3,(H2-,25,26,28,29);1H


cas: 70210-04-7
dtxsid: DTXSID00889998
formula: C37H35ClN4O11S2
inchikey: RYKNEZQMDZEINB-UHFFFAOYSA-L
norman_susdat_id: NS00061789
pubchem_cid: 172479
name:
Disodium 4-[[[3-[(chloroacetyl)amino]phenoxy]acetyl]amino]-5-hydroxy-6-[[2-(4-pentylphenoxy)phenyl]azo]naphthalene-1,7-disulphonate

inchi:
InChI=1/C37H35ClN4O11S2.2Na/c1-2-3-4-8-23-13-15-25(16-14-23)53-30-12-6-5-11-28(30)41-42-36-32(55(49,50)51)20-27-31(54(46,47)48)18-17-29(35(27)37(36)45)40-34(44)22-52-26-10-7-9-24(19-26)39-33(43)21-38;;/h5-7,9-20,45H,2-4,8,21-22H2,1H3,(H,39,43)(H,40,44)(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=C(OCC(=O)NC2=CC=C(C=3C=C(C(N=NC=4C=CC=CC4OC5=CC=C(C=C5)CCCCC)=C(O)C23)S(=O)(=O)[O-])S(=O)(=O)[O-])C1)CCl


cas: 70210-05-8
formula: C37H31N3O11S3.2Na
inchikey: PDIPEOFKXSOHMI-UHFFFAOYSA-L
norman_susdat_id: NS00090685
name:
Disodium 3-[[2,4-bis(2-methylphenoxy)phenyl]azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonate

inchi:
InChI=1/C37H31N3O11S3.2Na/c1-22-12-15-27(16-13-22)52(42,43)40-30-21-28(53(44,45)46)18-25-19-34(54(47,48)49)36(37(41)35(25)30)39-38-29-17-14-26(50-31-10-6-4-8-23(31)2)20-33(29)51-32-11-7-5-9-24(32)3;;/h4-21,40-41H,1-3H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Nc6cc(cc5cc(c(N=Nc3ccc(cc3Oc2ccccc2C)Oc4ccccc4C)c(O)c56)S([O-])(=O)=O)S([O-])(=O)=O


cas: 70210-06-9
dtxsid: DTXSID60890000
formula: C31H27N5O6S2
inchikey: GYGVRMLIQVFLPE-UHFFFAOYSA-L
norman_susdat_id: NS00061790
pubchem_cid: 166114
name:
Disodium 3-[[ethyl[4-[[4-[(3-sulphonatophenyl)azo]-1-naphthyl]azo]phenyl]amino]methyl]benzenesulphonate

inchi:
InChI=1/C31H27N5O6S2.2Na/c1-2-36(21-22-7-5-9-26(19-22)43(37,38)39)25-15-13-23(14-16-25)32-34-30-17-18-31(29-12-4-3-11-28(29)30)35-33-24-8-6-10-27(20-24)44(40,41)42;;/h3-20H,2,21H2,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(N=NC3=CC=C(C=C3)N(CC4=CC=CC(=C4)S(=O)(=O)[O-])CC)C=5C=CC=CC25)C1


name: Disodium 4-[[2,4-dihydroxy-5-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]benzenesulphonate
cas: 70210-07-0
dtxsid: DTXSID20890001
formula: C24H18N6O8S2
inchikey: KIQNBRVSQLGMGA-UHFFFAOYSA-L
norman_susdat_id: NS00063084
pubchem_cid: 172481
inchi:
InChI=1/C24H18N6O8S2.2Na/c31-23-14-24(32)22(30-28-18-7-11-20(12-8-18)40(36,37)38)13-21(23)29-27-16-3-1-15(2-4-16)25-26-17-5-9-19(10-6-17)39(33,34)35;;/h1-14,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC=3C=C(N=NC4=CC=C(C=C4)S(=O)(=O)[O-])C(O)=CC3O)C=C2)C=C1


name: 2-Naphthalenesulfonamide, N-[2-(acetyloxy)ethyl]-6-hydroxy-N-methyl-5-[[4-(phenylazo)phenyl]azo]-
cas: 70210-08-1
dtxsid: DTXSID2072043
formula: C27H25N5O5S
inchikey: QYPMQVPIDNIKAJ-UHFFFAOYSA-N
norman_susdat_id: NS00063085
pubchem_cid: 112387
smiles: O=C(OCCN(C)S(=O)(=O)C1=CC=C2C(C=CC(O)=C2N=NC3=CC=C(N=NC=4C=CC=CC4)C=C3)=C1)C
inchi:
InChI=1/C27H25N5O5S/c1-19(33)37-17-16-32(2)38(35,36)24-13-14-25-20(18-24)8-15-26(34)27(25)31-30-23-11-9-22(10-12-23)29-28-21-6-4-3-5-7-21/h3-15,18,34H,16-17H2,1-2H3


name: 1H-Pyrazol-5-amine, 3-methyl-4-[[4-(methylsulfonyl)-2-nitrophenyl]azo]-1-phenyl-
cas: 70210-09-2
chemspiderid: 7851039
dtxsid: DTXSID7072044
formula: C17H16N6O4S1
inchikey: BBCXHOYGGYKBRN-UHFFFAOYSA-N
norman_susdat_id: NS00037020
pubchem_cid: NA
smiles: CC1=NN(C(=N)/C/1=N/Nc1c(cc(cc1)S(=O)(=O)C)[N+](=O)[O-])c1ccccc1
inchi:
InChI=1S/C17H16N6O4S/c1-11-16(17(18)22(21-11)12-6-4-3-5-7-12)20-19-14-9-8-13(28(2,26)27)10-15(14)23(24)25/h3-10,18-19H,1-2H3/b18-17+,20-16+


name: Propanenitrile, 3-[[2-(2-cyanoethoxy)ethyl][4-[(4-nitrophenyl)azo]phenyl]amino]-
cas: 70210-10-5
chemspiderid: 100739
dtxsid: DTXSID2072045
formula: C20H20N6O3
inchikey: PNWYPUYECVECFF-UHFFFAOYSA-N
norman_susdat_id: NS00020339
pubchem_cid: 112389
smiles: [O-][N+](=O)c1ccc(cc1)N=Nc1ccc(cc1)N(CCOCCC#N)CCC#N
inchi:
InChI=1S/C20H20N6O3/c21-11-1-13-25(14-16-29-15-2-12-22)19-7-3-17(4-8-19)23-24-18-5-9-20(10-6-18)26(27)28/h3-10H,1-2,13-16H2/b24-23+


cas: 70210-12-7
formula: C37H25Cl3N12O14S3
inchikey: WCXQZZXTQJGZCA-UHFFFAOYSA-J
norman_susdat_id: NS00062011
pubchem_cid: NA
name:
1H-Pyrazole-3-carboxylic acid, 5-hydroxy-4-[[5-[[4-[5-hydroxy-3-methyl-4-[[2-sulfo-5-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]-1H-pyrazol-1-yl]benzoyl]amino]-2-sulfophenyl]azo]-1-(4-sulfophenyl)-, tetrasodium salt

inchi:
InChI=1/C37H25Cl3N12O14S3.4Na/c1-16-28(47-45-23-14-18(4-12-25(23)68(61,62)63)41-32-27(38)31(39)43-37(40)44-32)34(54)51(49-16)20-6-2-17(3-7-20)33(53)42-19-5-13-26(69(64,65)66)24(15-19)46-48-29-30(36(56)57)50-52(35(29)55)21-8-10-22(11-9-21)67(58,59)60;;;;/h2-15,54-55H,1H3,(H,42,53)(H,56,57)(H,41,43,44)(H,58,59,60)(H,61,62,63)(H,64,65,66);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=NN(C(O)=C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC(=O)C3=CC=C(C=C3)N4N=C(C(N=NC5=CC(=CC=C5S(=O)(=O)[O-])NC=6N=C(Cl)N=C(Cl)C6Cl)=C4O)C)C7=CC=C(C=C7)S(=O)(=O)[O-]


cas: 70210-13-8
formula: C27H22ClN9O9S3.3Na
inchikey: QODWDUXKFKJVCQ-UHFFFAOYSA-K
norman_susdat_id: NS00090937
name:
Trisodium 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulphonatonaphthyl]azo]-2,5-dimethylphenyl]azo]benzene-1,4-disulphonate

inchi:
InChI=1/C27H22ClN9O9S3.3Na/c1-13-11-20(36-37-21-12-15(47(38,39)40)6-9-22(21)48(41,42)43)14(2)10-19(13)35-34-17-7-8-18(30-27-32-25(28)31-26(29)33-27)24-16(17)4-3-5-23(24)49(44,45)46;;;/h3-12H,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H3,29,30,31,32,33);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].Nc5nc(Nc4ccc(N=Nc2cc(C)c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)cc2C)c3cccc(c34)S([O-])(=O)=O)nc(Cl)n5


name: Sodium 6-amino-5-[[4-chloro-2-(2-chlorophenoxy)phenyl]azo]-4-hydroxynaphthalene-2-sulphonate
cas: 70210-14-9
dtxsid: DTXSID10990448
formula: C22H15Cl2N3O5S
inchikey: ILTQZECADBXZIL-UHFFFAOYSA-M
norman_susdat_id: NS00061166
pubchem_cid: 3017996
smiles: [Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC3=CC=C(Cl)C=C3OC=4C=CC=CC4Cl)=C1
inchi:
InChI=1/C22H15Cl2N3O5S.Na/c23-13-6-8-17(20(10-13)32-19-4-2-1-3-15(19)24)26-27-22-16(25)7-5-12-9-14(33(29,30)31)11-18(28)21(12)22;/h1-11,28H,25H2,(H,29,30,31);/q;+1/p-1


cas: 70210-16-1
chemspiderid: 17287957
dtxsid: DTXSID7072046
formula: C57H34N4O8
inchikey: WXSGENSDDSFVKZ-UHFFFAOYSA-N
norman_susdat_id: NS00037021
pubchem_cid: 16131247
name:
Benzamide, N,N'-[(9,10-dihydro-2-methyl-9,10-dioxo-1,4-anthracenediyl)bis[imino(9,10-dihydro-9,10-dioxo-4,1-anthracenediyl)]]bis-

inchi:
InChI=1S/C57H34N4O8/c1-29-28-42(58-38-24-26-40(60-56(68)30-14-4-2-5-15-30)45-43(38)50(62)32-18-8-10-20-34(32)52(45)64)47-48(55(67)37-23-13-12-22-36(37)54(47)66)49(29)59-39-25-27-41(61-57(69)31-16-6-3-7-17-31)46-44(39)51(63)33-19-9-11-21-35(33)53(46)65/h2-28,58-59H,1H3,(H,60,68)(H,61,69)

smiles:
Cc1cc(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(NC(=O)c3ccccc3)cc2)c2C(=O)c3c(cccc3)C(=O)c2c1Nc1c2C(=O)c3c(cccc3)C(=O)c2c(NC(=O)c2ccccc2)cc1


cas: 70210-17-2
formula: C31H24ClN9O12S4.4Na
inchikey: JAHOBQDOBYFPTP-UHFFFAOYSA-J
norman_susdat_id: NS00090843
name:
Tetrasodium 5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulphonato-1-naphthyl]azo]-2,5-dimethylphenyl]azo]naphthalene-1,3,6-trisulphonate

inchi:
InChI=1/C31H24ClN9O12S4.4Na/c1-14-10-25(40-41-28-21-12-17(55(45,46)47)13-27(57(51,52)53)19(21)5-8-26(28)56(48,49)50)15(2)9-24(14)39-38-23-7-6-22(34-31-36-29(32)35-30(33)37-31)18-4-3-16(11-20(18)23)54(42,43)44;;;;/h3-13H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H3,33,34,35,36,37);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].Nc6nc(Nc5ccc(N=Nc3cc(C)c(N=Nc1c2cc(cc(c2ccc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)cc3C)c4cc(ccc45)S([O-])(=O)=O)nc(Cl)n6


cas: 70210-18-3
dtxsid: DTXSID10890050
formula: C25H18ClN7O13S4
inchikey: RUQXOAJQMVMBDP-UHFFFAOYSA-J
norman_susdat_id: NS00062775
pubchem_cid: 116645
name:
Tetrasodium 2-[[4-chloro-6-[[3-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulphonate

inchi:
InChI=1/C25H18ClN7O13S4.4Na/c26-23-29-24(31-25(30-23)28-16-10-13(47(35,36)37)6-8-19(16)48(38,39)40)27-12-5-7-20(49(41,42)43)17(9-12)32-33-18-11-21(50(44,45)46)14-3-1-2-4-15(14)22(18)34;;;;/h1-11,34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H2,27,28,29,30,31);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C(=C1)NC=2N=C(Cl)N=C(N2)NC3=CC=C(C(N=NC=4C=C(C=5C=CC=CC5C4O)S(=O)(=O)[O-])=C3)S(=O)(=O)[O-])S(=O)(=O)[O-]


cas: 70210-19-4
dtxsid: DTXSID70890051
formula: C22H19ClN6O9S2
inchikey: GFADAFOBDDOICY-UHFFFAOYSA-L
norman_susdat_id: NS00061821
pubchem_cid: 172485
name:
Disodium 7-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C22H19ClN6O9S2.2Na/c1-29(21-24-20(23)25-22(26-21)38-3)12-4-6-14-11(8-12)9-17(40(34,35)36)18(19(14)30)28-27-15-7-5-13(37-2)10-16(15)39(31,32)33;;/h4-10,30H,1-3H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(OC)=CC=C1N=NC2=C(O)C3=CC=C(C=C3C=C2S(=O)(=O)[O-])N(C=4N=C(Cl)N=C(N4)OC)C


cas: 70210-20-7
dtxsid: DTXSID30890052
formula: C26H20ClN7O10S3
inchikey: JGIGXKSJLSQJGQ-UHFFFAOYSA-K
norman_susdat_id: NS00061592
pubchem_cid: 160060
name:
Trisodium 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C26H20ClN7O10S3.3Na/c1-34(15-7-3-2-4-8-15)26-30-24(27)29-25(31-26)28-18-13-16(45(36,37)38)11-14-12-20(47(42,43)44)22(23(35)21(14)18)33-32-17-9-5-6-10-19(17)46(39,40)41;;;/h2-13,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,28,29,30,31);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C=CC=CC3S(=O)(=O)[O-])C(O)=C2C(=C1)NC4=NC(Cl)=NC(=N4)N(C=5C=CC=CC5)C)S(=O)(=O)[O-]


cas: 70210-21-8
dtxsid: DTXSID90890053
formula: C26H20ClN7O10S3
inchikey: MBAYVHBJJXOOIY-UHFFFAOYSA-K
norman_susdat_id: NS00061593
pubchem_cid: 166121
name:
Trisodium 7-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C26H20ClN7O10S3.3Na/c1-34(26-30-24(27)29-25(31-26)28-15-5-4-6-17(13-15)45(36,37)38)16-9-10-18-14(11-16)12-21(47(42,43)44)22(23(18)35)33-32-19-7-2-3-8-20(19)46(39,40)41;;;/h2-13,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,28,29,30,31);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1)NC2=NC(Cl)=NC(=N2)N(C=3C=CC=4C(C3)=CC(=C(N=NC=5C=CC=CC5S(=O)(=O)[O-])C4O)S(=O)(=O)[O-])C


cas: 70210-23-0
dtxsid: DTXSID50890054
formula: C35H27N8O15S3
inchikey: XBJZAJVUETUGDA-UHFFFAOYSA-K
norman_susdat_id: NS00061822
pubchem_cid: 135853661
name:
Trisodium 4-[[2,4-dihydroxy-3-[(4-methoxyphenyl)azo]-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C35H26N8O15S3.3Na/c1-58-23-9-6-21(7-10-23)38-42-33-34(45)28(40-37-20-4-2-19(3-5-20)36-26-11-8-22(43(47)48)14-31(26)61(55,56)57)17-29(35(33)46)41-39-27-15-24(59(49,50)51)12-18-13-25(60(52,53)54)16-30(44)32(18)27;;;/h2-17,36,44-46H,1H3,(H,49,50,51)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC=3C=C(N=NC=4C=C(C=C5C=C(C=C(O)C45)S(=O)(=O)[O-])S(=O)(=O)[O-])C(O)=C(N=NC6=CC=C(OC)C=C6)C3O)C=C2)C(=C1)S(=O)(=O)[O-]


cas: 70210-24-1
dtxsid: DTXSID10890055
formula: C28H20N8O13S2
inchikey: LVGAADSJOUNIDE-UHFFFAOYSA-L
norman_susdat_id: NS00061611
pubchem_cid: 166124
name:
Disodium 5-[[2,4-dihydroxy-5-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C28H18N8O13S2.2Na/c37-23-13-24(38)21(12-20(23)31-29-15-1-5-17(6-2-15)35(40)41)32-33-22-11-19(50(44,45)46)9-14-10-25(51(47,48)49)27(28(39)26(14)22)34-30-16-3-7-18(8-4-16)36(42)43;;/h1-13,37-39H,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C=C(N=NC3=CC(=CC4=CC(=C(N=NC5=CC=C(C=C5)[N+](=O)[O-])C(O)=C34)S(=O)(=O)[O-])S(=O)(=O)[O-])C(O)=CC2O)C=C1


cas: 70210-25-2
chemspiderid: 17287661
dtxsid: DTXSID2072047
formula: C28H17N9O16S2
inchikey: CHMUPHOKCJRARX-UHFFFAOYSA-L
norman_susdat_id: NS00020227
pubchem_cid: 16130947
name:
2,7-Naphthalenedisulfonic acid, 5-[[2,4-dihydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]-, disodium salt

inchi:
InChI=1S/C28H17N9O16S2/c38-23-11-24(39)18(31-34-20-5-14(36(44)45)6-22(27(20)40)37(46)47)9-17(23)30-32-19-8-15(54(48,49)50)7-16-25(55(51,52)53)10-21(28(41)26(16)19)33-29-12-1-3-13(4-2-12)35(42)43/h1-11,38-41H,(H,48,49,50)(H,51,52,53)/b32-30+,33-29?,34-31+

smiles:
[Na+].[Na+].Oc1cc(O)c(cc1N=Nc1c2c(O)c(cc(c2cc(c1)S(=O)(=O)[O-])S(=O)(=O)[O-])N=Nc1ccc(cc1)[N+](=O)[O-])N=Nc1c(O)c(cc(c1)[N+](=O)[O-])[N+](=O)[O-]


cas: 70210-26-3
dtxsid: DTXSID70890056
formula: C23H21ClN8O11S3
inchikey: VGXADPOLEBTNLQ-UHFFFAOYSA-K
norman_susdat_id: NS00062821
pubchem_cid: 172488
name:
Trisodium 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonate

inchi:
InChI=1/C23H21ClN8O11S3.3Na/c1-10(2)43-23-29-20(24)28-22(30-23)26-12-3-4-15(16(7-12)27-21(25)33)31-32-17-9-14-11(6-19(17)46(40,41)42)5-13(44(34,35)36)8-18(14)45(37,38)39;;;/h3-10H,1-2H3,(H3,25,27,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,26,28,29,30);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(N)NC1=CC(=CC=C1N=NC=2C=C3C(C=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])NC=4N=C(Cl)N=C(N4)OC(C)C


cas: 70210-27-4
dtxsid: DTXSID30890057
formula: C30H29ClN6O10S2
inchikey: ALOIVEFCEAUYNJ-UHFFFAOYSA-L
norman_susdat_id: NS00062822
pubchem_cid: 172489
name:
Disodium 1-amino-4-[[3-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C30H29ClN6O10S2.2Na/c1-5-46-10-11-47-30-36-28(31)35-29(37-30)34-24-13(2)23(14(3)27(15(24)4)49(43,44)45)33-18-12-19(48(40,41)42)22(32)21-20(18)25(38)16-8-6-7-9-17(16)26(21)39;;/h6-9,12,33H,5,10-11,32H2,1-4H3,(H,40,41,42)(H,43,44,45)(H,34,35,36,37);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=C(C(NC=5N=C(Cl)N=C(N5)OCCOCC)=C(C(=C4C)S(=O)(=O)[O-])C)C)=C13)S(=O)(=O)[O-]


cas: 70210-29-6
formula: C88H64N14O26S2
inchikey: XQBDAGDKRYJZOW-UHFFFAOYSA-H
norman_susdat_id: NS00066763
pubchem_cid: NA
name:
Benzoic acid, 3,3'-[1,2-ethanediylbis[oxycarbonylimino-4,1-phenyleneimino(1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo[2-(carboxymethoxy)-4,1-naphthalenediyl]azo-4,1-phenylenecarbonylimino]]bis[6-hydroxy-, hexasodium salt

inchi:
InChI=1/C88H64N14O26S2.6Na/c103-69-31-27-57(39-65(69)85(113)114)91-83(111)45-9-13-53(14-10-45)95-99-77-63-7-3-1-5-61(63)67(41-71(77)127-43-75(105)106)97-101-79-73(129(119,120)121)37-47-35-55(25-29-59(47)81(79)109)89-49-17-21-51(22-18-49)93-87(117)125-33-34-126-88(118)94-52-23-19-50(20-24-52)90-56-26-30-60-48(36-56)38-74(130(122,123)124)80(82(60)110)102-98-68-42-72(128-44-76(107)108)78(64-8-4-2-6-62(64)68)100-96-54-15-11-46(12-16-54)84(112)92-58-28-32-70(104)66(40-58)86(115)116;;;;;;/h1-32,35-42,89-90,103-104,109-110H,33-34,43-44H2,(H,91,111)(H,92,112)(H,93,117)(H,94,118)(H,105,106)(H,107,108)(H,113,114)(H,115,116)(H,119,120,121)(H,122,123,124);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(=CC=C1O)NC(=O)C2=CC=C(N=NC3=C(OCC(=O)[O-])C=C(N=NC=4C(O)=C5C=CC(=CC5=CC4S(=O)(=O)[O-])NC6=CC=C(C=C6)NC(=O)OCCOC(=O)NC7=CC=C(C=C7)NC=8C=CC=9C(C8)=CC(=C(N=NC%10=CC(OCC(=O)[O-])=C(N=NC%11=CC=C(C=C%11)C(=O)NC%12=CC=C(O)C(=C%12)C(=O)[O-])C=%13C=CC=CC%10%13)C9O)S(=O)(=O)[O-])C=%14C=CC=CC3%14)C=C2


cas: 70210-30-9
dtxsid: DTXSID90890058
formula: C48H38N12O16S4
inchikey: WSEZSNOMENOMIG-UHFFFAOYSA-J
norman_susdat_id: NS00061612
pubchem_cid: NA
name:
Tetrasodium 2,2'-[1,4-phenylenebis[carbonylimino[2-acetamido-4,1-phenylene]azo]]bis[5-[(4-sulphonatophenyl)azo]benzenesulphonate]

inchi:
InChI=1/C48H38N12O16S4.4Na/c1-27(61)49-43-23-33(11-19-39(43)57-59-41-21-13-35(25-45(41)79(71,72)73)55-53-31-7-15-37(16-8-31)77(65,66)67)51-47(63)29-3-5-30(6-4-29)48(64)52-34-12-20-40(44(24-34)50-28(2)62)58-60-42-22-14-36(26-46(42)80(74,75)76)56-54-32-9-17-38(18-10-32)78(68,69)70;;;;/h3-26H,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C=C2S(=O)(=O)[O-])C(=C1)NC(=O)C)C4=CC=C(C=C4)C(=O)NC5=CC=C(N=NC6=CC=C(N=NC7=CC=C(C=C7)S(=O)(=O)[O-])C=C6S(=O)(=O)[O-])C(=C5)NC(=O)C


cas: 70210-31-0
dtxsid: DTXSID7072048
formula: C43H30N8O14S4
inchikey: HIEDOYRWOABXMI-UHFFFAOYSA-J
norman_susdat_id: NS00061225
pubchem_cid: NA
name:
Tetrasodium 8-[[4-[(4-amino-3-sulphonatophenyl)azo]-6-sulphonatonaphthyl]azo]-5-[[6-(benzoylamino)-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C43H30N8O14S4.4Na/c44-34-13-7-26(20-39(34)68(60,61)62)46-47-37-16-14-35(30-11-8-27(21-32(30)37)66(54,55)56)48-49-38-17-15-36(31-12-9-28(22-33(31)38)67(57,58)59)50-51-41-40(69(63,64)65)19-24-18-25(6-10-29(24)42(41)52)45-43(53)23-4-2-1-3-5-23;;;;/h1-22,52H,44H2,(H,45,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(N=NC4=CC=C(N=NC5=CC=C(N)C(=C5)S(=O)(=O)[O-])C=6C=C(C=CC46)S(=O)(=O)[O-])C=7C=C(C=CC37)S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])C=8C=CC=CC8


cas: 70210-32-1
formula: C42H39N7O14S2
inchikey: ALJYWCSPZXLTDA-UHFFFAOYSA-M
norman_susdat_id: NS00061613
pubchem_cid: NA
name:
Sodium 3-benzamido-4-hydroxy-5-[[1-[[4'-[[2-[[2-hydroxy-5-(methylsulphonyl)phenyl]azo]-1,3-dioxobutyl]amino]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]carbamoyl]-2-oxopropyl]azo]benzenesulphonate

inchi:
InChI=1/C42H39N7O14S2.Na/c1-22(50)37(48-46-31-19-27(64(5,57)58)13-16-34(31)52)41(55)43-29-14-11-25(17-35(29)62-3)26-12-15-30(36(18-26)63-4)44-42(56)38(23(2)51)49-47-33-21-28(65(59,60)61)20-32(39(33)53)45-40(54)24-9-7-6-8-10-24;/h6-21,37-38,52-53H,1-5H3,(H,43,55)(H,44,56)(H,45,54)(H,59,60,61);/q;+1/p-1

smiles:
[Na+].O=C(NC1=CC(=CC(N=NC(C(=O)NC=2C=CC(=CC2OC)C3=CC=C(NC(=O)C(N=NC4=CC(=CC=C4O)S(=O)(=O)C)C(=O)C)C(OC)=C3)C(=O)C)=C1O)S(=O)(=O)[O-])C=5C=CC=CC5


cas: 70210-34-3
formula: C40H30N10O19S4
inchikey: YEYRLCHTGWGSQF-UHFFFAOYSA-J
norman_susdat_id: NS00061823
pubchem_cid: 16130949
name:
Tetrasodium 5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-4-hydroxy-3-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C40H28N10O19S4.4Na/c51-33-19-34(52)31(18-30(33)45-43-23-5-1-21(2-6-23)41-28-11-9-25(49(54)55)15-35(28)71(61,62)63)46-47-32-17-27(70(58,59)60)13-20-14-37(73(67,68)69)39(40(53)38(20)32)48-44-24-7-3-22(4-8-24)42-29-12-10-26(50(56)57)16-36(29)72(64,65)66;;;;/h1-19,41-42,51-53H,(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC=3C=C(N=NC4=CC(=CC5=CC(=C(N=NC6=CC=C(C=C6)NC7=CC=C(C=C7S(=O)(=O)[O-])[N+](=O)[O-])C(O)=C45)S(=O)(=O)[O-])S(=O)(=O)[O-])C(O)=CC3O)C=C2)C(=C1)S(=O)(=O)[O-]


cas: 70210-35-4
dtxsid: DTXSID60890060
formula: C40H31N9O15S4
inchikey: VANHCERBGHKXCW-UHFFFAOYSA-J
norman_susdat_id: NS00061245
pubchem_cid: NA
name:
Tetrasodium 7-amino-3-[[2,5-dimethoxy-4-[[7-sulphonato-4-[(2-sulphonatophenyl)azo]naphthyl]azo]phenyl]azo]-4-hydroxy-8-[(3-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C40H31N9O15S4.4Na/c1-63-34-20-33(47-49-39-37(68(60,61)62)18-27-25(40(39)50)12-13-28(41)38(27)48-42-21-6-5-7-22(16-21)65(51,52)53)35(64-2)19-32(34)46-44-30-15-14-29(24-11-10-23(17-26(24)30)66(54,55)56)43-45-31-8-3-4-9-36(31)67(57,58)59;;;;/h3-20,50H,41H2,1-2H3,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=C(N)C=CC3=C(O)C(N=NC4=CC(OC)=C(N=NC5=CC=C(N=NC=6C=CC=CC6S(=O)(=O)[O-])C=7C=CC(=CC57)S(=O)(=O)[O-])C=C4OC)=C(C=C23)S(=O)(=O)[O-])C1


cas: 70210-36-5
dtxsid: DTXSID20890061
formula: C48H36N8O16S4
inchikey: QCVPKTQGWIBKJI-UHFFFAOYSA-L
norman_susdat_id: NS00061246
pubchem_cid: NA
name:
Disodium 7,7'-[azobis(4,1-phenylenecarbonylimino)]bis[4-hydroxy-3-[[2-hydroxy-5-(methylsulphonyl)phenyl]azo]naphthalene-2-sulphonate]

inchi:
InChI=1/C48H36N8O16S4.2Na/c1-73(63,64)33-13-17-39(57)37(23-33)53-55-43-41(75(67,68)69)21-27-19-31(11-15-35(27)45(43)59)49-47(61)25-3-7-29(8-4-25)51-52-30-9-5-26(6-10-30)48(62)50-32-12-16-36-28(20-32)22-42(76(70,71)72)44(46(36)60)56-54-38-24-34(74(2,65)66)14-18-40(38)58;;/h3-24,57-60H,1-2H3,(H,49,61)(H,50,62)(H,67,68,69)(H,70,71,72);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC(=CC=C3O)S(=O)(=O)C)C2O)S(=O)(=O)[O-])C4=CC=C(N=NC5=CC=C(C=C5)C(=O)NC=6C=CC=7C(C6)=CC(=C(N=NC8=CC(=CC=C8O)S(=O)(=O)C)C7O)S(=O)(=O)[O-])C=C4


name: Disodium 5-(benzoylamino)-4-hydroxy-3-[[2-(2-methylphenoxy)phenyl]azo]naphthalene-2,7-disulphonate
cas: 70210-37-6
dtxsid: DTXSID80890062
formula: C30H23N3O9S2
inchikey: UZSOSPUHRLUDJW-UHFFFAOYSA-L
norman_susdat_id: NS00061614
pubchem_cid: 166127
inchi:
InChI=1/C30H23N3O9S2.2Na/c1-18-9-5-7-13-24(18)42-25-14-8-6-12-22(25)32-33-28-26(44(39,40)41)16-20-15-21(43(36,37)38)17-23(27(20)29(28)34)31-30(35)19-10-3-2-4-11-19;;/h2-17,34H,1H3,(H,31,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC=3C=CC=CC3OC=4C=CC=CC4C)C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C=5C=CC=CC5


name: Disodium 2-[3-nitro-4-[[4-(phenylamino)-3-sulphonatophenyl]amino]benzoyl]benzoate
cas: 70210-38-7
dtxsid: DTXSID40890063
formula: C26H20N3O8S
inchikey: JEMWFVKGCZWBSV-UHFFFAOYSA-L
norman_susdat_id: NS00062823
pubchem_cid: 5490494
inchi:
InChI=1/C26H19N3O8S.2Na/c30-25(19-8-4-5-9-20(19)26(31)32)16-10-12-21(23(14-16)29(33)34)28-18-11-13-22(24(15-18)38(35,36)37)27-17-6-2-1-3-7-17;;/h1-15,27-28H,(H,31,32)(H,35,36,37);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C=1C=CC=CC1C(=O)C2=CC=C(NC3=CC=C(NC=4C=CC=CC4)C(=C3)S(=O)(=O)[O-])C(=C2)[N+](=O)[O-]


cas: 70210-39-8
dtxsid: DTXSID00890064
formula: C20H17BrN4O8S2
inchikey: HNPZBDFFHBHBFR-UHFFFAOYSA-L
norman_susdat_id: NS00062824
pubchem_cid: 153112
smiles: [Na+].[Na+].O=C(NC1=CC=C(N=NC=2C(=CC=C3C=C(C=C(O)C32)S(=O)(=O)[O-])NC)C(=C1)S(=O)(=O)[O-])C(Br)=C
name:
Disodium 5-[[4-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-4-hydroxy-6-(methylamino)naphthalene-2-sulphonate

inchi:
InChI=1/C20H17BrN4O8S2.2Na/c1-10(21)20(27)23-12-4-6-14(17(8-12)35(31,32)33)24-25-19-15(22-2)5-3-11-7-13(34(28,29)30)9-16(26)18(11)19;;/h3-9,22,26H,1H2,2H3,(H,23,27)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


cas: 70210-40-1
dtxsid: DTXSID60890065
formula: C19H15BrN4O8S2
inchikey: TVBHTRRBFCNJGD-UHFFFAOYSA-L
norman_susdat_id: NS00061824
pubchem_cid: 166129
smiles: [Na+].[Na+].O=C(NC1=CC=C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-])C(Br)=C
name:
Disodium 6-amino-5-[[4-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C19H15BrN4O8S2.2Na/c1-9(20)19(26)22-11-3-5-14(16(7-11)34(30,31)32)23-24-18-13(21)4-2-10-6-12(33(27,28)29)8-15(25)17(10)18;;/h2-8,25H,1,21H2,(H,22,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


name: Disodium 6-amino-5-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]naphthalene-2-sulphonate
cas: 70210-41-2
dtxsid: DTXSID20890066
formula: C19H15BrN4O7S2
inchikey: GGPXXBHMAMKMMH-UHFFFAOYSA-L
norman_susdat_id: NS00061247
pubchem_cid: 166131
smiles: [Na+].[Na+].O=C(NC1=CC=C(C(N=NC2=C(N)C=CC3=CC(=CC=C32)S(=O)(=O)[O-])=C1)S(=O)(=O)[O-])C(Br)=C
inchi:
InChI=1/C19H15BrN4O7S2.2Na/c1-10(20)19(25)22-12-3-7-17(33(29,30)31)16(9-12)23-24-18-14-5-4-13(32(26,27)28)8-11(14)2-6-15(18)21;;/h2-9H,1,21H2,(H,22,25)(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2


cas: 70210-42-3
dtxsid: DTXSID80890067
formula: C26H23Br2N3O9S2
inchikey: SQRKXGOXNHPTSS-UHFFFAOYSA-L
norman_susdat_id: NS00061615
pubchem_cid: 153114
name:
Disodium 1-amino-4-[[3-[(2,3-dibromo-1-oxopropyl)amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C26H23Br2N3O9S2.2Na/c1-10-21(11(2)25(42(38,39)40)12(3)22(10)31-26(34)15(28)9-27)30-16-8-17(41(35,36)37)20(29)19-18(16)23(32)13-6-4-5-7-14(13)24(19)33;;/h4-8,15,30H,9,29H2,1-3H3,(H,31,34)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=C(C(NC(=O)C(Br)CBr)=C(C(=C4C)S(=O)(=O)[O-])C)C)=C13)S(=O)(=O)[O-]


cas: 70210-43-4
dtxsid: DTXSID40890068
formula: C26H20ClN7O10S3
inchikey: MWHRVUBZKLHQSM-UHFFFAOYSA-K
norman_susdat_id: NS00061248
pubchem_cid: 172495
name:
Trisodium 7-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C26H20ClN7O10S3.3Na/c1-34(26-30-24(27)29-25(31-26)28-15-6-9-17(10-7-15)45(36,37)38)16-8-11-18-14(12-16)13-21(47(42,43)44)22(23(18)35)33-32-19-4-2-3-5-20(19)46(39,40)41;;;/h2-13,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,28,29,30,31);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1)NC2=NC(Cl)=NC(=N2)N(C=3C=CC=4C(C3)=CC(=C(N=NC=5C=CC=CC5S(=O)(=O)[O-])C4O)S(=O)(=O)[O-])C


cas: 70210-44-5
formula: C36H27N11O8
inchikey: VSEKOCDXVJGRLR-UHFFFAOYSA-M
norman_susdat_id: NS00061848
pubchem_cid: NA
name:
Sodium 5-[[3-[[5-[[4-[[[4-[(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo]phenyl]amino]carbonyl]phenyl]azo]-2,4-dihydroxyphenyl]azo]-4-hydroxyphenyl]azo]salicylate

inchi:
InChI=1/C36H27N11O8.Na/c1-18-33(35(53)47-38-18)46-40-22-8-6-20(7-9-22)37-34(52)19-2-4-21(5-3-19)39-43-27-16-28(32(51)17-31(27)50)45-44-26-15-24(11-13-30(26)49)42-41-23-10-12-29(48)25(14-23)36(54)55;/h2-17,33,48-51H,1H3,(H,37,52)(H,47,53)(H,54,55);/q;+1/p-1

smiles:
[Na+].O=C([O-])C1=CC(N=NC2=CC=C(O)C(N=NC3=CC(N=NC4=CC=C(C=C4)C(=O)NC5=CC=C(N=NC6C(=O)NN=C6C)C=C5)=C(O)C=C3O)=C2)=CC=C1O


name: Disodium 5,5'-[sulphonylbis(3,1-phenyleneazo)]bis[6-amino-4-hydroxynaphthalene-2-sulphonate]
cas: 70210-45-6
dtxsid: DTXSID00890069
formula: C32H24N6O10S3
inchikey: ZKNJKWWEUXLGNN-UHFFFAOYSA-L
norman_susdat_id: NS00062825
pubchem_cid: 172498
inchi:
InChI=1/C32H24N6O10S3.2Na/c33-25-9-7-17-11-23(50(43,44)45)15-27(39)29(17)31(25)37-35-19-3-1-5-21(13-19)49(41,42)22-6-2-4-20(14-22)36-38-32-26(34)10-8-18-12-24(51(46,47)48)16-28(40)30(18)32;;/h1-16,39-40H,33-34H2,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC3=CC=CC(=C3)S(=O)(=O)C=4C=CC=C(N=NC5=C(N)C=CC6=CC(=CC(O)=C65)S(=O)(=O)[O-])C4)=C1


cas: 70210-46-7
formula: C27H22ClN7O10S3.3Na
inchikey: DYKLIOJHWZQJBH-UHFFFAOYSA-K
norman_susdat_id: NS00090864
name:
Trisodium 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C27H22ClN7O10S3.3Na/c1-14-8-9-18(20(10-14)47(40,41)42)33-34-23-21(48(43,44)45)12-15-11-17(46(37,38)39)13-19(22(15)24(23)36)29-26-30-25(28)31-27(32-26)35(2)16-6-4-3-5-7-16;;;/h3-13,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].Clc4nc(Nc2cc(cc3cc(c(N=Nc1ccc(C)cc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(n4)N(C)c5ccccc5


cas: 70224-59-8
formula: C33H22ClN9O12S4.4Na
inchikey: WIKKVJZSTLARBZ-UHFFFAOYSA-J
norman_susdat_id: NS00090772
name:
Tetrasodium 5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]naphthalene-1,3,6-trisulphonate

inchi:
InChI=1/C33H22ClN9O12S4.4Na/c34-31-37-32(35)39-33(38-31)36-24-8-9-27(22-13-16(56(44,45)46)5-6-20(22)24)41-40-25-10-11-26(19-4-2-1-3-18(19)25)42-43-30-23-14-17(57(47,48)49)15-29(59(53,54)55)21(23)7-12-28(30)58(50,51)52;;;;/h1-15H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,35,36,37,38,39);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].Nc7nc(Nc6ccc(N=Nc4ccc(N=Nc1c2cc(cc(c2ccc1S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c3ccccc34)c5cc(ccc56)S([O-])(=O)=O)nc(Cl)n7


cas: 70224-83-8
formula: C52H36Cl6N18O20S6
inchikey: KKPMTXMREZGVGJ-GQJXTSOFSA-H
norman_susdat_id: NS00066771
pubchem_cid: NA
name:
Hexasodium 4,4'-bis[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C52H36Cl6N18O20S6.6Na/c1-21-43(45(77)75(73-21)35-17-31(55)41(19-29(35)53)101(91,92)93)71-69-33-13-25(9-11-37(33)97(79,80)81)59-49-63-47(57)65-51(67-49)61-27-7-5-23(39(15-27)99(85,86)87)3-4-24-6-8-28(16-40(24)100(88,89)90)62-52-66-48(58)64-50(68-52)60-26-10-12-38(98(82,83)84)34(14-26)70-72-44-22(2)74-76(46(44)78)36-18-32(56)42(20-30(36)54)102(94,95)96;;;;;;/h3-20,43-44H,1-2H3,(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H2,59,61,63,65,67)(H2,60,62,64,66,68);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC3=NC(Cl)=NC(=N3)NC4=CC=C(C=CC5=CC=C(C=C5S(=O)(=O)[O-])NC=6N=C(Cl)N=C(N6)NC7=CC=C(C(N=NC8C(=O)N(N=C8C)C9=CC(Cl)=C(C=C9Cl)S(=O)(=O)[O-])=C7)S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-])C%10=CC(Cl)=C(C=C%10Cl)S(=O)(=O)[O-]


cas: 70224-84-9
formula: C51H36Cl2N20O25S6.8Na
inchikey: SWAJXMQBYUXCRH-UHFFFAOYSA-F
norman_susdat_id: NS00093453
name:
1H-Pyrazole-3-carboxylic acid, 4,4'-[carbonylbis[imino(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo]]bis[4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, octasodium salt

inchi:
InChI=1/C51H36Cl2N20O25S6.8Na/c52-45-60-47(54-21-3-15-33(101(87,88)89)31(17-21)66-68-37-39(43(76)77)70-72(41(37)74)25-5-9-27(10-6-25)99(81,82)83)64-49(62-45)56-23-1-13-29(35(19-23)103(93,94)95)58-51(80)59-30-14-2-24(20-36(30)104(96,97)98)57-50-63-46(53)61-48(65-50)55-22-4-16-34(102(90,91)92)32(18-22)67-69-38-40(44(78)79)71-73(42(38)75)26-7-11-28(12-8-26)100(84,85)86;;;;;;;;/h1-20,37-38H,(H,76,77)(H,78,79)(H2,58,59,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H2,54,56,60,62,64)(H2,55,57,61,63,65);;;;;;;;/q;8*+1/p-8

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c3ccc(cc3N=NC2C(=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)\C(=O)[O-])Nc4nc(nc(Cl)n4)Nc%10ccc(NC(=O)Nc5ccc(cc5S([O-])(=O)=O)Nc6nc(nc(Cl)n6)Nc9cc(N=NC8\C(=N/N(c7ccc(cc7)S([O-])(=O)=O)C8=O)C([O-])=O)c(cc9)S([O-])(=O)=O)c(c%10)S([O-])(=O)=O


cas: 70224-86-1
dtxsid: DTXSID90890073
formula: C21H17BrN4O12S3
inchikey: DWWWWJFNJPTPOC-UHFFFAOYSA-K
norman_susdat_id: NS00061281
pubchem_cid: 172506
name:
Trisodium 4-(acetylamino)-6-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-1,7-disulphonate

inchi:
InChI=1/C21H17BrN4O12S3.3Na/c1-9(22)21(29)24-11-3-5-16(40(33,34)35)14(7-11)25-26-19-17(41(36,37)38)8-12-15(39(30,31)32)6-4-13(23-10(2)27)18(12)20(19)28;;;/h3-8,28H,1H2,2H3,(H,23,27)(H,24,29)(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(C(N=NC2=C(O)C=3C(=CC=C(C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C)=C1)S(=O)(=O)[O-])C(Br)=C


name: Sodium [[9,10-dihydro-4-(isopropylamino)-9,10-dioxo-1-anthryl]amino]methoxytoluenesulphonate
cas: 70224-87-2
dtxsid: DTXSID00990457
formula: C25H24N2O6S
inchikey: RQORFSZVYNKKAC-UHFFFAOYSA-M
norman_susdat_id: NS00062872
pubchem_cid: NA
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NCOC4=CC=CC(=C4S(=O)(=O)[O-])C)C13)NC(C)C
inchi:
InChI=1/C25H24N2O6S.Na/c1-14(2)27-19-12-11-18(21-22(19)24(29)17-9-5-4-8-16(17)23(21)28)26-13-33-20-10-6-7-15(3)25(20)34(30,31)32;/h4-12,14,26-27H,13H2,1-3H3,(H,30,31,32);/q;+1/p-1


name: Sodium [3-[[9,10-dihydro-4-(isopropylamino)-9,10-dioxo-1-anthryl]amino]butyl]benzenesulphonate
cas: 70224-88-3
dtxsid: DTXSID60990458
formula: C27H28N2O5S
inchikey: ILPBZLYLCPDREW-UHFFFAOYSA-M
norman_susdat_id: NS00062873
pubchem_cid: 172510
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC(C)C)C13)NC(C)CCC=4C=CC=CC4S(=O)(=O)[O-]
inchi:
InChI=1/C27H28N2O5S.Na/c1-16(2)28-21-14-15-22(25-24(21)26(30)19-9-5-6-10-20(19)27(25)31)29-17(3)12-13-18-8-4-7-11-23(18)35(32,33)34;/h4-11,14-17,28-29H,12-13H2,1-3H3,(H,32,33,34);/q;+1/p-1


name: 1,2,4-Benzenetricarboxylic acid, branched tridecyl isodecylÂ
cas: 70225-05-7
chemspiderid: 2342329
dtxsid: DTXSID10867904
formula: C42H72O6
inchikey: YNKHAYUWCVQHBA-UHFFFAOYSA-N
norman_susdat_id: NS00008886
pubchem_cid: 3085422
smiles: CCCCCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC(C)C)c(c1)C(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C42H72O6/c1-6-7-8-9-10-11-12-13-14-19-24-31-46-40(43)37-29-30-38(41(44)47-32-25-20-15-17-22-27-35(2)3)39(34-37)42(45)48-33-26-21-16-18-23-28-36(4)5/h29-30,34-36H,6-28,31-33H2,1-5H3


name: Bis(2-hydroxyethyl)ammonium perfluorooctanesulfonic acid
cas: 70225-14-8
dtxsid: DTXSID2072049
formula: C12H12F17NO5S
inchikey: OHPZNXYJAZBDSJ-UHFFFAOYSA-N
norman_susdat_id: NS00109549
smiles: OCC[NH2+]CCO.[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
inchi:
InChI=1S/C8HF17O3S.C4H11NO2/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;6-3-1-5-2-4-7/h(H,26,27,28);5-7H,1-4H2


name: Bis(2-hydroxyethyl)ammonium pentadecafluoroheptane-1-sulphonate
cas: 70225-15-9
formula: C7HF15O3S.C4H11NO2
inchikey: SDWCILHGJCGQEW-UHFFFAOYSA-N
norman_susdat_id: NS00090773
smiles: OCC[NH2+]CCO.[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)F
inchi:
InChI=1/C7HF15O3S.C4H11NO2/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25;6-3-1-5-2-4-7/h(H,23,24,25);5-7H,1-4H2


name: Bis(2-hydroxyethyl)ammonium perfluorohexanesulfonate
cas: 70225-16-0
dtxsid: DTXSID1072050
formula: C10H12F13NO5S
inchikey: VAWRKOLUZUTBLC-UHFFFAOYSA-N
norman_susdat_id: NS00109193
smiles: OCC[NH2+]CCO.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C6HF13O3S.C4H11NO2/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;6-3-1-5-2-4-7/h(H,20,21,22);5-7H,1-4H2


name: Bis(2-hydroxyethyl)ammonium 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulphonate
cas: 70225-17-1
formula: C5HF11O3S.C4H11NO2
inchikey: YCMYOAOBWUIFST-UHFFFAOYSA-N
norman_susdat_id: NS00090877
smiles: OCC[NH2+]CCO.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C5HF11O3S.C4H11NO2/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19;6-3-1-5-2-4-7/h(H,17,18,19);5-7H,1-4H2


name: Bis(2-hydroxyethyl)ammonium perfluorobutanesulfonate
cas: 70225-18-2
dtxsid: DTXSID1072052
formula: C8H12F9NO5S
inchikey: HOHGVZJHMJGPDP-UHFFFAOYSA-N
norman_susdat_id: NS00109194
smiles: OCC[NH2+]CCO.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C4HF9O3S.C4H11NO2/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;6-3-1-5-2-4-7/h(H,14,15,16);5-7H,1-4H2


name: Bis[trimethyl-3-[[(pentadecafluoroheptyl)sulphonyl]amino]propylammonium] sulphate
cas: 70225-20-6
formula: C13H16F15N2O2S.1/2O4S
inchikey: UUWZKXIUZHPNDP-UHFFFAOYSA-L
norman_susdat_id: NS00090774
inchi:
InChI=1/2C13H16F15N2O2S.H2O4S/c2*1-30(2,3)6-4-5-29-33(31,32)13(27,28)11(22,23)9(18,19)7(14,15)8(16,17)10(20,21)12(24,25)26;1-5(2,3)4/h2*29H,4-6H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)[O-]


name: Bis[trimethyl-3-[[(nonafluorobutyl)sulphonyl]amino]propylammonium] sulphate
cas: 70225-22-8
formula: C10H16F9N2O2S.1/2O4S
inchikey: DENZIOFHNROMAE-UHFFFAOYSA-L
norman_susdat_id: NS00090878
inchi:
InChI=1/2C10H16F9N2O2S.H2O4S/c2*1-21(2,3)6-4-5-20-24(22,23)10(18,19)8(13,14)7(11,12)9(15,16)17;1-5(2,3)4/h2*20H,4-6H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)[O-]


name: Bis[trimethyl-3-[[(undecafluoropentyl)sulphonyl]amino]propylammonium] sulphate
cas: 70225-24-0
formula: C11H16F11N2O2S.1/2O4S
inchikey: URZDLCWBSHBQJS-UHFFFAOYSA-L
norman_susdat_id: NS00090642
inchi:
InChI=1/2C11H16F11N2O2S.H2O4S/c2*1-24(2,3)6-4-5-23-27(25,26)11(21,22)9(16,17)7(12,13)8(14,15)10(18,19)20;1-5(2,3)4/h2*23H,4-6H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)[O-]


cas: 70225-26-2
chemspiderid: 100748
formula: C14H16F17N2O2S1
inchikey: FGTDPZOJJFPWCB-UHFFFAOYSA-N
norman_susdat_id: NS00011402
pubchem_cid: 84097
name:
1-Propanaminium, 3-[[(heptadecafluorooctyl)sulfonyl]amino]-N,N,N-trimethyl-, sulfate (2:1) (TSCA, NDSL, ENCS)

inchi:
InChI=1S/2C14H16F17N2O2S.H2O4S/c2*1-33(2,3)6-4-5-32-36(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29;1-5(2,3)4/h2*32H,4-6H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
C(N[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)CC[N+](C)(C)C.C(N[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)CC[N+](C)(C)C.O=[S]([O-])([O-])=O


name: Calcium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate
cas: 7023-61-2
dtxsid: DTXSID0027642
formula: C18H11CaClN2O6S
inchikey: KCAQGUXPIKJXTQ-UHFFFAOYSA-L
norman_susdat_id: NS00074382
smiles: [Ca++].CC1=CC(=C(C=C1Cl)N=NC1=C(O)C(=CC2=C1C=CC=C2)C([O-])=O)S([O-])(=O)=O
inchi:
InChI=1S/C18H13ClN2O6S.Ca/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2


cas: 70236-38-3
dtxsid: DTXSID50990462
formula: C33H29N3O7S
inchikey: ZKCKMKNDEZOBMH-UHFFFAOYSA-M
norman_susdat_id: NS00062874
pubchem_cid: NA
smiles: [Na+].O=C(C=C)NCC=1C=CC=C(OC2=CC=C(C=C2)NC3=CC=C(NC(C)C)C=4C(=O)C=5C=CC=CC5C(=O)C34)C1S(=O)(=O)[O-]
name:
Sodium a-(acryloylamino)-[4-[[9,10-dihydro-4-(isopropylamino)-9,10-dioxo-1-anthryl]amino]phenoxy]toluenesulphonate

inchi:
InChI=1/C33H29N3O7S.Na/c1-4-28(37)34-18-20-8-7-11-27(33(20)44(40,41)42)43-22-14-12-21(13-15-22)36-26-17-16-25(35-19(2)3)29-30(26)32(39)24-10-6-5-9-23(24)31(29)38;/h4-17,19,35-36H,1,18H2,2-3H3,(H,34,37)(H,40,41,42);/q;+1/p-1


name: 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium trichlorozincate
cas: 70236-45-2
formula: C23H26N3.Cl3Zn
inchikey: QJOPCCHRZGQJIH-UHFFFAOYSA-K
norman_susdat_id: NS00091375
smiles: CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C23H26N3.3ClH.Zn/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;;;;/h5-6,8-15H,7,17H2,1-4H3;3*1H;/q+1;;;;+2/p-3/rC23H26N3.Cl3Zn/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;1-4(2)3/h5-6,8-15H,7,17H2,1-4H3;/q+1;-1


name: 2-[[4-(dimethylamino)phenyl]azo]-1,3-dimethyl-1H-imidazolium trichlorozincate(1-)
cas: 70236-46-3
formula: C13H18N5.Cl3Zn
inchikey: MSDSXDWCXNDSRS-UHFFFAOYSA-L
norman_susdat_id: NS00091376
smiles: CN2/C=C\[NH+](C)C2N=Nc1ccc(cc1)N(C)C.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C13H19N5.3ClH.Zn/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;;;;/h5-10,13H,1-4H3;3*1H;/q;;;;+2/p-2/rC13H19N5.Cl3Zn/c1-16(2)12-7-5-11(6-8-12)14-15-13-17(3)9-10-18(13)4;1-4(2)3/h5-10,13H,1-4H3;/q;-1/p+1


cas: 70236-51-0
dtxsid: DTXSID50904443
formula: C44H36N10O16S4
inchikey: ALPKFOALTCELEH-UHFFFAOYSA-J
norman_susdat_id: NS00062892
pubchem_cid: NA
name:
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[4-[[5-hydroxy-6-[(2-methoxy-5-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo]-, tetrasodium salt

inchi:
InChI=1/C44H36N10O16S4.4Na/c1-22-13-32(37(70-3)21-31(22)51-53-34-19-28(72(60,61)62)15-24-16-29(73(63,64)65)20-35(55)39(24)34)47-44-49-42(45-25-7-5-4-6-8-25)48-43(50-44)46-26-9-11-30-23(14-26)17-38(74(66,67)68)40(41(30)56)54-52-33-18-27(71(57,58)59)10-12-36(33)69-2;;;;/h4-21,55-56H,1-3H3,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H3,45,46,47,48,49,50);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(OC)C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC4=NC(=NC(=N4)NC5=CC(=C(N=NC=6C=C(C=C7C=C(C=C(O)C67)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C5OC)C)NC=8C=CC=CC8)=C1


cas: 70236-60-1
norman_susdat_id: NS00076039
name:
Chromate(2-), [2,4-dihydro-4-[2-[2-(hydroxy-.kappa.O)-5-nitrophenyl]diazenyl-.kappa.N1]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3][3-(hydroxy-.kappa.O)-4-[2-[2-(hydroxy-.kappa.O)-1-naphthalenyl]diazenyl-.kappa.N1]-7-nitro-1-naphthalenesulfonato(3


name: 4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1,7-disulphonic acid
cas: 70239-77-9
dtxsid: DTXSID90990466
formula: C17H14N2O8S2
inchikey: GXAGGOUUTLWTGU-UHFFFAOYSA-N
norman_susdat_id: NS00061693
pubchem_cid: 3018000
smiles: O=C(NC1=CC=C(C=2C=C(C=C(O)C12)S(=O)(=O)O)S(=O)(=O)O)C=3C=CC=C(N)C3
inchi:
InChI=1/C17H14N2O8S2/c18-10-3-1-2-9(6-10)17(21)19-13-4-5-15(29(25,26)27)12-7-11(28(22,23)24)8-14(20)16(12)13/h1-8,20H,18H2,(H,19,21)(H,22,23,24)(H,25,26,27)


name: Physalin E
cas: 70241-10-0
chemspiderid: 101586381
formula: C28H32O11
inchikey: YFLAVJCREXGADP-CCLDXJELSA-N
norman_susdat_id: NS00093773
smiles:
C[C@]12C[C@@H]3[C@]4([C@]56[C@@H]1C(=O)[C@](O5)([C@H]7[C@H](CC[C@@]6(C(=O)O4)O)[C@]8(C(=O)C=CC[C@@]8(C[C@H]7O)O)C)OC[C@@H]2C(=O)O3)C


name: [1,1'-Biphenyl]-4-carbonitrile, 4'-(decyloxy)-
cas: 70247-25-5
chemspiderid: 100750
dtxsid: DTXSID6072057
formula: C23H29N1O1
inchikey: VCYXELFOIWRYLA-UHFFFAOYSA-N
norman_susdat_id: NS00037026
pubchem_cid: 112405
smiles: CCCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N
inchi:
InChI=1S/C23H29NO/c1-2-3-4-5-6-7-8-9-18-25-23-16-14-22(15-17-23)21-12-10-20(19-24)11-13-21/h10-17H,2-9,18H2,1H3


cas: 70247-68-6
dtxsid: DTXSID00887696
formula: C22H17Cl2N5O6S2
inchikey: IXFMUIYTIWYGJY-UHFFFAOYSA-M
norman_susdat_id: NS00062951
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C1=CC=C(Cl)C(=C1)N2NC(=C(N=NC=3C=CC=CC3S(=O)(=O)OC=4C=CC=CC4Cl)C2=N)C
name:
Sodium 4-chloro-3-[4-[[2-[(2-chlorophenoxy)sulphonyl]phenyl]azo]-2,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C22H17Cl2N5O6S2.Na/c1-13-21(22(25)29(28-13)18-12-14(36(30,31)32)10-11-15(18)23)27-26-17-7-3-5-9-20(17)37(33,34)35-19-8-4-2-6-16(19)24;/h2-12,25,28H,1H3,(H,30,31,32);/q;+1/p-1


cas: 70247-69-7
dtxsid: DTXSID50890074
formula: C48H36N6O14S2
inchikey: HSUWQXUFFFBTQL-UHFFFAOYSA-L
norman_susdat_id: NS00062952
pubchem_cid: NA
name:
Disodium 4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[iminocarbonyl(2-hydroxy-4,1-phenylene)azo]]bis(3-hydroxynaphthalene-1-sulphonate)

inchi:
InChI=1/C48H36N6O14S2.2Na/c1-67-41-21-25(11-17-35(41)49-47(59)27-13-15-33(37(55)19-27)51-53-45-31-9-5-3-7-29(31)43(23-39(45)57)69(61,62)63)26-12-18-36(42(22-26)68-2)50-48(60)28-14-16-34(38(56)20-28)52-54-46-32-10-6-4-8-30(32)44(24-40(46)58)70(64,65)66;;/h3-24,55-58H,1-2H3,(H,49,59)(H,50,60)(H,61,62,63)(H,64,65,66);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(C=C1OC)C=2C=CC(NC(=O)C3=CC=C(N=NC4=C(O)C=C(C=5C=CC=CC45)S(=O)(=O)[O-])C(O)=C3)=C(OC)C2)C6=CC=C(N=NC7=C(O)C=C(C=8C=CC=CC78)S(=O)(=O)[O-])C(O)=C6


cas: 70247-70-0
dtxsid: DTXSID10890075
formula: C19H14BrCl2N5O8S2
inchikey: JVURCOFLRNSPQI-UHFFFAOYSA-L
norman_susdat_id: NS00061901
pubchem_cid: 153116
name:
Disodium 4-[4-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulphonate

inchi:
InChI=1/C19H14BrCl2N5O8S2.2Na/c1-8(20)18(28)23-10-3-4-15(36(30,31)32)13(5-10)24-25-17-9(2)26-27(19(17)29)14-6-12(22)16(7-11(14)21)37(33,34)35;;/h3-7,17H,1H2,2H3,(H,23,28)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(C(N=NC2C(=O)N(N=C2C)C3=CC(Cl)=C(C=C3Cl)S(=O)(=O)[O-])=C1)S(=O)(=O)[O-])C(Br)=C


cas: 70247-98-2
formula: C18H31NO
norman_susdat_id: NS00101221
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-(dimethylamino)ethyl]-.omega.-[(1,1,3,3-tetramethylbutyl)phenoxy]-


name: Bis[trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium] sulphate
cas: 70248-52-1
formula: C12H16F13N2O2S.1/2O4S
inchikey: YBMZDDVMZMNFRI-UHFFFAOYSA-L
norman_susdat_id: NS00090786
inchi:
InChI=1/2C12H16F13N2O2S.H2O4S/c2*1-27(2,3)6-4-5-26-30(28,29)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23;1-5(2,3)4/h2*26H,4-6H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)[O-]


name: Neospiramycin
cas: 70253-62-2
chemspiderid: 4945912
formula: C36H62N2O11
inchikey: SUBWVHAACKTENX-UHFFFAOYSA-N
norman_susdat_id: NS00040631
pubchem_cid: 90476493
smiles: COC1C(O)CC(=O)OC(C)CC=CC=CC(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C1OC1OC(C)C(O)C(C1O)N(C)C
inchi:
InChI=1S/C36H62N2O11/c1-21-19-25(17-18-39)34(49-36-33(43)31(38(7)8)32(42)24(4)47-36)35(44-9)27(40)20-29(41)45-22(2)13-11-10-12-14-28(21)48-30-16-15-26(37(5)6)23(3)46-30/h10-12,14,18,21-28,30-36,40,42-43H,13,15-17,19-20H2,1-9H3


name: Ronacaleret
cas: 702686-96-2
dtxsid: DTXSID60892347
formula: C25H31F2NO4
inchikey: FQJISUPNMFRIFZ-HXUWFJFHSA-N
norman_susdat_id: NS00071912
pubchem_cid: 10345214
smiles: CC(C)(CC1Cc2ccccc2C1)NC[C@@H](O)COc1cc(CCC(=O)O)cc(F)c1F
inchi:
InChI=1S/C25H31F2NO4/c1-25(2,13-17-9-18-5-3-4-6-19(18)10-17)28-14-20(29)15-32-22-12-16(7-8-23(30)31)11-21(26)24(22)27/h3-6,11-12,17,20,28-29H,7-10,13-15H2,1-2H3,(H,30,31)/t20-/m1/s1


name: Difemerine hydrochloride
cas: 70280-88-5
chemspiderid: 16001272
dtxsid: DTXSID90220513
formula: C20H25N1O3
inchikey: CKTQYKFSILWWCR-UHFFFAOYSA-N
norman_susdat_id: NS00037034
pubchem_cid: 91997515
smiles: [Cl-].CN(C)C(C)(C)COC(=O)C(O)(c1ccccc1)c1ccccc1.[H+]
inchi:
InChI=1S/C20H25NO3/c1-19(2,21(3)4)15-24-18(22)20(23,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,23H,15H2,1-4H3


name: Potassium N-[(heptadecafluorooctyl)sulphonyl]-N-methylglycinate
cas: 70281-93-5
formula: C11H6F17NO4S.K
inchikey: HMGJLBJCTGOYGB-UHFFFAOYSA-M
norman_susdat_id: NS00091409
smiles: [K+].CN(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
inchi:
InChI=1/C11H6F17NO4S.K/c1-29(2-3(30)31)34(32,33)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26;/h2H2,1H3,(H,30,31);/q;+1/p-1


name: (Z)-N-pyren-1-yl-9-octadecenamide
cas: 70283-04-4
formula: C34H43NO
inchikey: WPMOMVAOAJIBNR-KTKRTIGZSA-N
norman_susdat_id: NS00061343
pubchem_cid: 20836180
smiles: O=C(NC1=CC=C2C=CC3=CC=CC=4C=CC1=C2C34)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C34H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-32(36)35-31-26-24-29-22-21-27-18-17-19-28-23-25-30(31)34(29)33(27)28/h9-10,17-19,21-26H,2-8,11-16,20H2,1H3,(H,35,36)


name: (Z)-N-(9-ethyl-9H-carbazol-3-yl)-9-octadecenamide
cas: 70283-15-7
dtxsid: DTXSID60887697
formula: C32H46N2O
inchikey: HJBKRORLQKPAFB-QXMHVHEDSA-N
norman_susdat_id: NS00062968
pubchem_cid: 6437750
smiles: O=C(NC1=CC=C2C(=C1)C=3C=CC=CC3N2CC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C32H46N2O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32(35)33-27-24-25-31-29(26-27)28-21-19-20-22-30(28)34(31)4-2/h11-12,19-22,24-26H,3-10,13-18,23H2,1-2H3,(H,33,35)


name: Ivermectin
cas: 70288-86-7
chebiid: CHEBI:63941
chemspiderid: 7988461
dtxsid: DTXSID7040235
formula: C48H74O14
inchikey: AZSNMRSAGSSBNP-XPNPUAGNSA-N
norman_susdat_id: NS00000160
pubchem_cid: 6321424
inchi:
InChI=1S/C48H74O14/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/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/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:
CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C


name: 2-(Dodecyloxy)pyridine
cas: 70289-09-7
chemspiderid: 87061
dtxsid: DTXSID00220524
formula: C17H29N1O1
inchikey: PQKOSPVOQVXHCT-UHFFFAOYSA-N
norman_susdat_id: NS00037037
pubchem_cid: 96440
smiles: CCCCCCCCCCCCOc1ncccc1
inchi:
InChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18-17/h11-12,14-15H,2-10,13,16H2,1H3


name: N,N'-Ethylenedi-m-toluidine
cas: 7030-60-6
chebiid: CHEBI:119963
chemspiderid: 73528
dtxsid: DTXSID10220575
formula: C16H20N2
inchikey: WXEZZUDLDARSKV-UHFFFAOYSA-N
norman_susdat_id: NS00037042
pubchem_cid: 81493
smiles: Cc1cc(NCCNc2cc(C)ccc2)ccc1
inchi:
InChI=1S/C16H20N2/c1-13-5-3-7-15(11-13)17-9-10-18-16-8-4-6-14(2)12-16/h3-8,11-12,17-18H,9-10H2,1-2H3


cas: 7031-85-8
chebiid: CHEBI:174589
dtxsid: DTXSID80880100
formula: C9H16N6O4
inchikey: KUMXVBFFVVLQFX-PJPYAQQDSA-N
norman_susdat_id: NS00097710
smiles: C1CN2C(=N)N([C@H]([C@H]3[C@]2(C1(O)O)N=C(N3)N)CO)O
name:
(3aS,4R,10aS)-2-amino-5-hydroxy-4-(hydroxymethyl)-6-imino-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purine-10,10-diol

inchi:
InChI=1S/C9H16N6O4/c10-6-12-5-4(3-16)15(19)7(11)14-2-1-8(17,18)9(5,14)13-6/h4-5,11,16-19H,1-3H2,(H3,10,12,13)/t4-,5-,9-/m0/s1


name: N,N'-Bis(9,10-dihydro-9,10-dioxo-1-anthryl)terephthaldiamide
cas: 70321-14-1
chemspiderid: 2109884
dtxsid: DTXSID60220606
formula: C36H20N2O6
inchikey: SZIMOAXVGHVBAT-UHFFFAOYSA-N
norman_susdat_id: NS00037044
pubchem_cid: 2832182
smiles: O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O
inchi:
InChI=1S/C36H20N2O6/c39-31-21-7-1-3-9-23(21)33(41)29-25(31)11-5-13-27(29)37-35(43)19-15-17-20(18-16-19)36(44)38-28-14-6-12-26-30(28)34(42)24-10-4-2-8-22(24)32(26)40/h1-18H,(H,37,43)(H,38,44)


name: Ethyl N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl)-beta-alaninate
cas: 70321-15-2
chemspiderid: 21168089
dtxsid: DTXSID20220607
formula: C19H17N1O5
inchikey: AMWRPHGVAUGJDB-UHFFFAOYSA-N
norman_susdat_id: NS00037045
pubchem_cid: 44150898
smiles: CCOC(=O)CCNc1c2C(=O)c3ccccc3C(=O)c2c(O)cc1
inchi:
InChI=1S/C19H17NO5/c1-2-25-15(22)9-10-20-13-7-8-14(21)17-16(13)18(23)11-5-3-4-6-12(11)19(17)24/h3-8,20-21H,2,9-10H2,1H3


name: Potassium sodium 7-hydroxy-8-[[4-(phenylazo)phenyl]azo]naphthalene-1,3-disulphonate
cas: 70321-81-2
formula: C22H16N4O7S2.xK.xNa
inchikey: PADMNBNLZRYDCV-UHFFFAOYSA-L
norman_susdat_id: NS00090581
smiles: [K+].[Na+].[O-]S(=O)(=O)c4cc3ccc(O)c(N=Nc2ccc(N=Nc1ccccc1)cc2)c3c(c4)S([O-])(=O)=O
inchi:
InChI=1/C22H16N4O7S2.K.Na/c27-19-11-6-14-12-18(34(28,29)30)13-20(35(31,32)33)21(14)22(19)26-25-17-9-7-16(8-10-17)24-23-15-4-2-1-3-5-15;;/h1-13,27H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


name: Potassium 4-[(3-oxobutanoyl)amino]benzenesulfonate
cas: 70321-85-6
chemspiderid: 150742
dtxsid: DTXSID1044722
formula: C10H11N1O5S1
inchikey: FNLKZYBTJKUMQM-UHFFFAOYSA-M
norman_susdat_id: NS00020876
pubchem_cid: 23674215
smiles: [K+].CC(=O)CC(=O)Nc1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1S/C10H11NO5S/c1-7(12)6-10(13)11-8-2-4-9(5-3-8)17(14,15)16/h2-5H,6H2,1H3,(H,11,13)(H,14,15,16)


name: 2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol
cas: 70321-86-7
chemspiderid: 100754
dtxsid: DTXSID2028985
formula: C30H29N3O1
inchikey: OLFNXLXEGXRUOI-UHFFFAOYSA-N
norman_susdat_id: NS00004642
pubchem_cid: 112412
smiles: CC(C)(c1ccccc1)c1cc(c(O)c(c1)C(C)(C)c1ccccc1)-n1nc2ccccc2n1
inchi:
InChI=1S/C30H29N3O/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)27(20-23)33-31-25-17-11-12-18-26(25)32-33/h5-20,34H,1-4H3


name: 2,2'-Oxamidodiethyl bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]
cas: 70331-94-1
chemspiderid: 84315
dtxsid: DTXSID1052450
formula: C40H60N2O8
inchikey: OXWDLAHVJDUQJM-UHFFFAOYSA-N
norman_susdat_id: NS00019748
pubchem_cid: 93405
smiles: CC(C)(C)c1cc(CCC(=O)OCCNC(=O)C(=O)NCCOC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
inchi:
InChI=1S/C40H60N2O8/c1-37(2,3)27-21-25(22-28(33(27)45)38(4,5)6)13-15-31(43)49-19-17-41-35(47)36(48)42-18-20-50-32(44)16-14-26-23-29(39(7,8)9)34(46)30(24-26)40(10,11)12/h21-24,45-46H,13-20H2,1-12H3,(H,41,47)(H,42,48)


name: (2-hydroxybenzyl)triphenylphosphonium bromide
cas: 70340-04-4
dtxsid: DTXSID10990544
formula: C25H22OP
inchikey: FKKZGQXMWVGPMH-UHFFFAOYSA-N
norman_susdat_id: NS00061514
pubchem_cid: 2724143
smiles: [Br-].OC=1C=CC=CC1C[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C25H21OP.BrH/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H


name: 2-[2-[(4-ethoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate
cas: 70353-84-3
formula: C21H25N2O.HO4S
inchikey: RBFKGNGDEXCCMP-UHFFFAOYSA-M
norman_susdat_id: NS00090716
smiles: CCOc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C21H24N2O.H2O4S/c1-5-24-17-12-10-16(11-13-17)22-15-14-20-21(2,3)18-8-6-7-9-19(18)23(20)4;1-5(2,3)4/h6-15H,5H2,1-4H3;(H2,1,2,3,4)/p-1


cas: 70353-88-7
formula: C18H24ClN5O2
inchikey: SGDCDRNOJSTMPM-UHFFFAOYSA-J
norman_susdat_id: NS00061110
pubchem_cid: NA
name:
Bis[[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]methylamino]ethyl]trimethylammonium] tetrachlorozincate

inchi:
InChI=1/2C18H23ClN5O2.4ClH.Zn/c2*1-24(2,3)11-10-20-13-14-4-6-15(7-5-14)21-22-18-9-8-16(23(25)26)12-17(18)19;;;;;/h2*4-9,12,20H,10-11,13H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C18H23ClN5O2.Cl4Zn/c2*1-24(2,3)11-10-20-13-14-4-6-15(7-5-14)21-22-18-9-8-16(23(25)26)12-17(18)19;1-5(2,3)4/h2*4-9,12,20H,10-11,13H2,1-3H3;/q2*+1;-2

smiles:
O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)CNCC[N+](C)(C)C)C(Cl)=C1.O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)CNCC[N+](C)(C)C)C(Cl)=C1.Cl[Zn-2](Cl)(Cl)Cl


cas: 70353-89-8
formula: -
inchikey: RGDUHSRXOFNWPO-UHFFFAOYSA-J
norman_susdat_id: NS00092730
name:
Dichlorobis(monomethylsulfato-O')zincate(2-) of bis[5-[[4-(dimethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium]

inchi:
InChI=1/2C12H17N6.2CH4O4S.2ClH.Zn/c2*1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;2*1-5-6(2,3)4;;;/h2*5-9H,1-4H3;2*1H3,(H,2,3,4);2*1H;/q2*+1;;;;;+2/p-4/r2C12H17N6.C2H6Cl2O8S2Zn/c2*1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;1-9-13(5,6)11-15(3,4)12-14(7,8)10-2/h2*5-9H,1-4H3;1-2H3/q2*+1;-2

smiles:
Cn2cn[n+](C)c2\N=N/c1ccc(cc1)N(C)C.O=S(=O)(OC)O[Zn-2](Cl)(Cl)OS(=O)(=O)OC.CN(C)c1ccc(cc1)/N=N/c2[n+](C)ncn2C


name: 1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
cas: 70356-09-1
chebiid: CHEBI:134751
chemspiderid: 46261
dtxsid: DTXSID9044829
formula: C20H22O3
inchikey: XNEFYCZVKIDDMS-UHFFFAOYSA-N
norman_susdat_id: NS00002639
pubchem_cid: 51040
smiles: COc1ccc(cc1)C(=O)CC(=O)c1ccc(cc1)C(C)(C)C
inchi:
InChI=1S/C20H22O3/c1-20(2,3)16-9-5-14(6-10-16)18(21)13-19(22)15-7-11-17(23-4)12-8-15/h5-12H,13H2,1-4H3


name: Dimethyl 5-(N-tosylsulphamoyl)isophthalate, potassium salt
cas: 70364-24-8
formula: C17H17NO8S2
inchikey: OXYQHDVXFNNEAK-UHFFFAOYSA-N
norman_susdat_id: NS00061111
pubchem_cid: 2735028
smiles: [K+].O=C(OC)C=1C=C(C=C(C1)S(=O)(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OC
inchi:
InChI=1/C17H17NO8S2.K/c1-11-4-6-14(7-5-11)27(21,22)18-28(23,24)15-9-12(16(19)25-2)8-13(10-15)17(20)26-3;/h4-10,18H,1-3H3;/q;+1


name: Lornoxicam
cas: 70374-39-9
chemspiderid: 4445392
dtxsid: DTXSID6046133
formula: C13H10Cl1N3O4S2
inchikey: OXROWJKCGCOJDO-JLHYYAGUSA-N
norman_susdat_id: NS00004372
pubchem_cid: NA
smiles: CN1C(=C(O)Nc2ccccn2)C(=O)c2sc(Cl)cc2S1(=O)=O
inchi:
InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,19H,1H3,(H,15,16)/b13-10+


cas: 70375-22-3
chemspiderid: 17333454
dtxsid: DTXSID30220638
formula: C24H27N5O5
inchikey: JYWCRDUTYUBXOL-FYZYNONXSA-N
norman_susdat_id: NS00037051
pubchem_cid: 16219161
smiles: [Cl-].Cc1cc(=O)oc2c1ccc(NC(=O)C(CCCN=C(N)N)NC(=O)OCc1ccccc1)c2.[H+]
name:
Benzyl (S)-(4-(amidinoamino)-1-(((4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino)carbonyl)butyl)carbamate monohydrochloride

inchi:
InChI=1S/C24H27N5O5/c1-15-12-21(30)34-20-13-17(9-10-18(15)20)28-22(31)19(8-5-11-27-23(25)26)29-24(32)33-14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,19H,5,8,11,14H2,1H3,(H,28,31)(H,29,32)(H4,25,26,27)/t19-/m1/s1


name: 4-(3'-methyl-2,2'-spirobi[2H-1-benzopyran]-7-yl)morpholine
cas: 70383-86-7
dtxsid: DTXSID30887700
formula: C22H21NO3
inchikey: XVHYHEGAGVGQJD-UHFFFAOYSA-N
norman_susdat_id: NS00061112
pubchem_cid: 112205
smiles: O1C=2C=CC=CC2C=C(C)C13OC=4C=C(C=CC4C=C3)N5CCOCC5
inchi:
InChI=1/C22H21NO3/c1-16-14-18-4-2-3-5-20(18)25-22(16)9-8-17-6-7-19(15-21(17)26-22)23-10-12-24-13-11-23/h2-9,14-15H,10-13H2,1H3


name: Lortalamine
cas: 70384-91-7
formula: C15H17ClN2O2
inchikey: MJRPHRMGEKCADU-ITDIGPHOSA-N
norman_susdat_id: NS00068076
smiles: CN1CC[C@@]23NC(=O)C[C@@H](c4cc(Cl)ccc4O2)[C@@H]3C1
inchi:
InChI=1S/C15H17ClN2O2/c1-18-5-4-15-12(8-18)10(7-14(19)17-15)11-6-9(16)2-3-13(11)20-15/h2-3,6,10,12H,4-5,7-8H2,1H3,(H,17,19)/t10-,12-,15+/m0/s1


name: 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
cas: 70398-33-3
formula: C20H24N3O.H2O4P
inchikey: RMKBLFYEVKUBSH-UHFFFAOYSA-N
norman_susdat_id: NS00090815
smiles: [H+].[H+].[O-]P([O-])([O-])=O.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C
inchi:
InChI=1/C20H23N3O.H3O4P.2H2/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;1-5(2,3)4;;/h5-12,14H,13H2,1-4H3;(H3,1,2,3,4);2*1H/q;;2*+1/p-2


name: Territrem A
cas: 70407-19-1
dtxsid: DTXSID40897214
formula: C28H30O9
inchikey: LCJHAHVVYAVVPA-UHFFFAOYSA-N
norman_susdat_id: NS00075449
smiles: COC1=CC(=CC2=C1OCO2)C1=CC2=C(CC3(O)C(C)(CCC4(O)C(C)(C)C=CC(=O)C34C)O2)C(=O)O1
inchi:
InChI=1/C28H30O9/c1-24(2)7-6-21(29)26(4)27(24,31)9-8-25(3)28(26,32)13-16-18(37-25)12-17(36-23(16)30)15-10-19(33-5)22-20(11-15)34-14-35-22/h6-7,10-12,31-32H,8-9,13-14H2,1-5H3


name: Territrem B
cas: 70407-20-4
dtxsid: DTXSID80897213
formula: C29H34O9
inchikey: PBXNNDFKPQPJBB-VJLHXPKFSA-N
norman_susdat_id: NS00075536
smiles: COC1=CC(=CC(OC)=C1OC)C1=CC2=C(C[C@@]3(O)[C@@](C)(CC[C@@]4(O)C(C)(C)C=CC(=O)[C@]34C)O2)C(=O)O1
inchi:
InChI=1S/C29H34O9/c1-25(2)9-8-22(30)27(4)28(25,32)11-10-26(3)29(27,33)15-17-19(38-26)14-18(37-24(17)31)16-12-20(34-5)23(36-7)21(13-16)35-6/h8-9,12-14,32-33H,10-11,15H2,1-7H3/t26-,27+,28-,29-/m1/s1


name: 2,2,3,3,4,4,5,5,6,6,6-Undecafluoro-N-(2-phenylethyl)hexanamide
cas: 70414-01-6
dtxsid: DTXSID70896134
formula: C14H10F11NO
inchikey: RYQZIXCMWPWVAD-UHFFFAOYSA-N
norman_susdat_id: NS00111457
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NCCc1ccccc1
inchi:
InChI=1S/C14H10F11NO/c15-10(16,9(27)26-7-6-8-4-2-1-3-5-8)11(17,18)12(19,20)13(21,22)14(23,24)25/h1-5H,6-7H2,(H,26,27)


name: 2,2,3,3,4,4,4-Heptafluoro-N-(2-phenylpropyl)butanamide
cas: 70414-03-8
dtxsid: DTXSID80896044
formula: C13H12F7NO
inchikey: SUAUDWRFVCXSIC-UHFFFAOYSA-N
norman_susdat_id: NS00111781
smiles: CC(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
inchi:
InChI=1/C13H12F7NO/c1-8(9-5-3-2-4-6-9)7-21-10(22)11(14,15)12(16,17)13(18,19)20/h2-6,8H,7H2,1H3,(H,21,22)


cas: 70416-82-9
dtxsid: DTXSID70990626
formula: C25H24N2O5S
inchikey: GPELPEMTBJRDAD-UHFFFAOYSA-M
norman_susdat_id: NS00061757
pubchem_cid: 3018007
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC4=CC=C(C=C4C)C(C)(C)C
name:
Sodium 1-amino-9,10-dihydro-4-[[4-(1,1-dimethylethyl)-2-methylphenyl]amino]-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C25H24N2O5S.Na/c1-13-11-14(25(2,3)4)9-10-17(13)27-18-12-19(33(30,31)32)22(26)21-20(18)23(28)15-7-5-6-8-16(15)24(21)29;/h5-12,27H,26H2,1-4H3,(H,30,31,32);/q;+1/p-1


cas: 70424-79-2
formula: C17H31NO.C4H4O4
inchikey: CTJDTGZCMKOVPH-BTJKTKAUSA-M
norman_susdat_id: NS00090592
smiles: CC[NH+](CC)CCOCC1C2C(CC=C1C)C2(C)C.[O-]C(=O)\C=C/C(=O)[O-]
name:
Diethyl[2-[(3,7,7-trimethylbicyclo[4.1.0]hept-3-en-2-yl)methoxy]ethyl]ammonium (Z)-2-butenedioate (1:1)

inchi:
InChI=1/C17H31NO.C4H4O4/c1-6-18(7-2)10-11-19-12-14-13(3)8-9-15-16(14)17(15,4)5;5-3(6)1-2-4(7)8/h8,14-16H,6-7,9-12H2,1-5H3;1-2H,(H,5,6)(H,7,8)/p-1


name: CP 47,497
cas: 70434-82-1
chemspiderid: 111910
formula: C21H34O2
inchikey: ZWWRREXSUJTKNN-AEFFLSMTSA-N
norman_susdat_id: NS00010432
pubchem_cid: 125835
smiles: O[C@@H]2C[C@H](c1c(O)cc(cc1)C(C)(C)CCCCCC)CCC2
inchi:
InChI=1S/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m1/s1


name: PHENOL, 5-(1,1-DIMETHYLOCTYL)-2-(3-HYDROXYCYCLOH
cas: 70434-92-3
chemspiderid: 10442937
dtxsid: DTXSID30875420
formula: C22H36O2
inchikey: HNMJDLVMIUDJNH-UHFFFAOYSA-N
norman_susdat_id: NS00010428
pubchem_cid: 12788230
smiles: OC1CC(CCC1)c2ccc(cc2O)C(C)(C)CCCCCCC
inchi:
InChI=1S/C22H36O2/c1-4-5-6-7-8-14-22(2,3)18-12-13-20(21(24)16-18)17-10-9-11-19(23)15-17/h12-13,16-17,19,23-24H,4-11,14-15H2,1-3H3


name: CP 47,497-C6-Homolog
cas: 70435-06-2
chemspiderid: 29342068
formula: C20H32O2
inchikey: KQUGQXNYBWYGAI-DOTOQJQBSA-N
norman_susdat_id: NS00018423
pubchem_cid: 24041590
smiles: CCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)O)O
inchi:
InChI=1S/C20H32O2/c1-4-5-6-12-20(2,3)16-10-11-18(19(22)14-16)15-8-7-9-17(21)13-15/h10-11,14-15,17,21-22H,4-9,12-13H2,1-3H3/t15-,17+/m0/s1


name: CP 47,497-C9-homolog
cas: 70435-08-4
chemspiderid: 29342069
formula: C23H38O2
inchikey: BIGNODGYJZJTBM-AZUAARDMSA-N
norman_susdat_id: NS00018446
pubchem_cid: 23902365
smiles: CCCCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)O)O
inchi:
InChI=1S/C23H38O2/c1-4-5-6-7-8-9-15-23(2,3)19-13-14-21(22(25)17-19)18-11-10-12-20(24)16-18/h13-14,17-18,20,24-25H,4-12,15-16H2,1-3H3/t18-,20+/m0/s1


cas: 7044-02-2
dtxsid: DTXSID5064548
formula: C25H24N2O4
inchikey: CMZXMMGJBKMTFM-UHFFFAOYSA-N
norman_susdat_id: NS00044531
pubchem_cid: 110949
smiles: N#CC(=CC=C1N(C2=CC=C(C=C2C1(C)C)C(=O)OC)C)C(=O)OCC=3C=CC=CC3
name:
Methyl 2-[3-cyano-4-oxo-4-(phenylmethoxy)but-2-enylidene]-2,3-dihydro-1,3,3-trimethyl-1H-indole-5-carboxylate

inchi:
InChI=1/C25H24N2O4/c1-25(2)20-14-18(23(28)30-4)10-12-21(20)27(3)22(25)13-11-19(15-26)24(29)31-16-17-8-6-5-7-9-17/h5-14H,16H2,1-4H3


name: Cheirotoxine
cas: 7044-33-9
chemspiderid: 11735184
formula: C35H52O15
inchikey: CAYUJEAJKPLCAV-XXCZCDTISA-N
norman_susdat_id: NS00093807
pubchem_cid: 9909893
smiles:
C[C@@H]1[C@@H]([C@H]([C@H]([C@@H](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)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O


name: Asperilin
cas: 7044-35-1
chemspiderid: 225685
dtxsid: DTXSID80292744
formula: C15H20O3
inchikey: GAUPAOVCTWBVKC-WPLOAARJSA-N
norman_susdat_id: NS00094812
pubchem_cid: 257274
smiles: C[C@@]12C[C@H]3OC(=O)C(=C)[C@H]3C[C@H]1C(=C)CC[C@H]2O
inchi:
InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h10-13,16H,1-2,4-7H2,3H3/t10-,11+,12-,13-,15-/m1/s1


name: Pefloxacin
cas: 70458-92-3
chebiid: CHEBI:50199
chemspiderid: 46291
dtxsid: DTXSID3048493
formula: C17H20F1N3O3
inchikey: FHFYDNQZQSQIAI-UHFFFAOYSA-N
norman_susdat_id: NS00002648
pubchem_cid: 6919009
smiles: CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(C)CC1
inchi:
InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24)


cas: 70458-95-6
chebiid: CHEBI:50194
formula: C17H20FN3O3.CH4O3S
inchikey: HQQSBEDKMRHYME-UHFFFAOYSA-N
norman_susdat_id: NS00093542
smiles: CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3.CS(=O)(=O)O
name:
3-carboxy-1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxoquinoline monomethanesulphonate

inchi:
InChI=1/C17H20FN3O3.CH4O3S/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21;1-5(2,3)4/h8-10H,3-7H2,1-2H3,(H,23,24);1H3,(H,2,3,4)


name: Norfloxacin
cas: 70458-96-7
chebiid: CHEBI:100246
chemspiderid: 4380
dtxsid: DTXSID7037680
formula: C16H18F1N3O3
inchikey: OGJPXUAPXNRGGI-UHFFFAOYSA-N
norman_susdat_id: NS00000224
pubchem_cid: 4539
smiles: CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N3CCNCC3
inchi:
InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)


name: Tosufloxacin
cas: 70460-45-6
chebiid: CHEBI:77581
chemspiderid: 5316
formula: C19H15F3N4O3
inchikey: WUWFMDMBOJLQIV-UHFFFAOYSA-N
norman_susdat_id: NS00011866
pubchem_cid: 5517
smiles: c1cc(c(cc1F)F)n2cc(c(=O)c3c2nc(c(c3)F)N4CCC(C4)N)C(=O)O
inchi:
InChI=1S/C19H15F3N4O3/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29)


name: 5-acetyl-3-[1-[(3-amino-4-hydroxyphenyl)amino]ethylidene]-4-hydroxy-2H-pyran-2,6(3H)-dione
cas: 70466-83-0
formula: C15H14N2O6
inchikey: AMSURBYAJYQBRZ-UHFFFAOYSA-N
norman_susdat_id: NS00090594
smiles: O=C(C)\C1=C(/O)C(C(=O)OC1=O)=C(C)Nc2ccc(O)c(N)c2
inchi:
InChI=1/C15H14N2O6/c1-6(17-8-3-4-10(19)9(16)5-8)11-13(20)12(7(2)18)15(22)23-14(11)21/h3-5,17,19-20H,16H2,1-2H3


name: Dihydroxyaluminium stearate
cas: 7047-84-9
chebiid: CHEBI:31197
formula: C18H37AlO4
inchikey: UGMCXQCYOVCMTB-UHFFFAOYSA-K
norman_susdat_id: NS00080755
smiles: CCCCCCCCCCCCCCCCCC(=O)[O-].O[Al+]O
inchi:
InChI=1/C18H36O2.Al.2H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2-17H2,1H3,(H,19,20);;2*1H2/q;+3;;/p-3/rC18H36O2.AlH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1-3/h2-17H2,1H3,(H,19,20);2-3H/q;+1/p-1


name: Grayanoside B
cas: 70474-75-8
chemspiderid: 101316949
formula: C26H42O9
inchikey: ANXMAYKAWZAHMB-CMCDTBIBSA-N
norman_susdat_id: NS00093930
smiles:
C[C@]1(C[C@]23C[C@H]1CC[C@H]2C(=C)[C@@H]4C[C@@H](C([C@]4([C@@H](C3)O)O)(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O


name: 1,4-dihydroxy-5,8-bis[[2-[(2-hydroxyethyl)amino]ethyl]amino]anthraquinone dihydrochloride
cas: 70476-82-3
chebiid: CHEBI:50727
formula: C22H28N4O6.2ClH
inchikey: ZAHQPTJLOCWVPG-UHFFFAOYSA-N
norman_susdat_id: NS00091303
smiles: Cl.Cl.OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
inchi:
InChI=1/C22H28N4O6.2ClH/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;2*1H


name: Bis[4-butyl-1,2-dihydro-3-oxo-1,2-diphenyl-3H-pyrazol-5-yl] carbonate
cas: 70485-37-9
dtxsid: DTXSID40990693
formula: C39H38N4O5
inchikey: NXWULBYJCQNQMZ-UHFFFAOYSA-N
norman_susdat_id: NS00061542
pubchem_cid: 3018011
smiles: O=C(OC1=C(C(=O)N(C=2C=CC=CC2)N1C=3C=CC=CC3)CCCC)OC4=C(C(=O)N(C=5C=CC=CC5)N4C=6C=CC=CC6)CCCC
inchi:
InChI=1/C39H38N4O5/c1-3-5-27-33-35(44)40(29-19-11-7-12-20-29)42(31-23-15-9-16-24-31)37(33)47-39(46)48-38-34(28-6-4-2)36(45)41(30-21-13-8-14-22-30)43(38)32-25-17-10-18-26-32/h7-26H,3-6,27-28H2,1-2H3


name: Lyngbyatoxin-a
cas: 70497-14-2
dtxsid: DTXSID90880015
formula: C27H39N3O2
inchikey: KISDGNGREAJPQR-OICBGKIFSA-N
norman_susdat_id: NS00075614
smiles: [H][C@@]1(CO)CC2=CNC3=C2C(=CC=C3[C@](C)(CCC=C(C)C)C=C)N(C)[C@@]([H])(C(C)C)C(=O)N1
inchi:
InChI=1/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)/t20-,25-,27-/s2


name: Citric acid, ammonium iron salt
cas: 7050-19-3
formula: C6H8O7.xFe.xH3N
inchikey: GLMQHZPGHAPYIO-UHFFFAOYSA-L
norman_susdat_id: NS00080758
smiles: [NH4+].[Fe+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.Fe.H3N/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);;1H3/q;+2;/p-2


cas: 70502-62-4
formula: C10H20O4
norman_susdat_id: NS00101423
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate (2:1)


cas: 70516-41-5
chemspiderid: 100585
dtxsid: DTXSID90867922
formula: C34H34N2O3
inchikey: HUSIBQLZEMMTCQ-UHFFFAOYSA-N
norman_susdat_id: NS00003007
pubchem_cid: 112209
smiles: CCN(CCC(C)C)c1ccc2c(Oc3cc(C)c(Nc4ccccc4)cc3C22OC(=O)c3ccccc23)c1
name:
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(3-methylbutyl)amino]-3'-methyl-2'-(phenylamino)-

inchi:
InChI=1S/C34H34N2O3/c1-5-36(18-17-22(2)3)25-15-16-28-32(20-25)38-31-19-23(4)30(35-24-11-7-6-8-12-24)21-29(31)34(28)27-14-10-9-13-26(27)33(37)39-34/h6-16,19-22,35H,5,17-18H2,1-4H3


name: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(ethylhexylamino)-3'-methyl-2'-(phenylamino)-
cas: 70516-51-7
chemspiderid: 100587
dtxsid: DTXSID90887246
formula: C35H36N2O3
inchikey: RYSOWSAJXSTJPE-UHFFFAOYSA-N
norman_susdat_id: NS00006975
pubchem_cid: 112211
smiles: CCCCCCN(CC)c1ccc2c(Oc3cc(C)c(Nc4ccccc4)cc3C22OC(=O)c3ccccc23)c1
inchi:
InChI=1S/C35H36N2O3/c1-4-6-7-13-20-37(5-2)26-18-19-29-33(22-26)39-32-21-24(3)31(36-25-14-9-8-10-15-25)23-30(32)35(29)28-17-12-11-16-27(28)34(38)40-35/h8-12,14-19,21-23,36H,4-7,13,20H2,1-3H3


name: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(ethylhexylamino)-2'-(phenylamino)-
cas: 70516-52-8
chemspiderid: 23352419
dtxsid: DTXSID50887247
formula: C34H34N2O3
inchikey: VIHKGKGKWXKUCK-UHFFFAOYSA-N
norman_susdat_id: NS00001550
pubchem_cid: 44146702
smiles: CCCCCCN(CC)c1ccc2c(Oc3ccc(Nc4ccccc4)cc3C22OC(=O)c3ccccc23)c1
inchi:
InChI=1S/C34H34N2O3/c1-3-5-6-12-21-36(4-2)26-18-19-29-32(23-26)38-31-20-17-25(35-24-13-8-7-9-14-24)22-30(31)34(29)28-16-11-10-15-27(28)33(37)39-34/h7-11,13-20,22-23,35H,3-6,12,21H2,1-2H3


name: N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-ß-alanine
cas: 70521-70-9
formula: C17H35NO4
inchikey: OKVWJOUKDKKXQG-UHFFFAOYSA-N
norman_susdat_id: NS00091305
smiles: CCCCCCCCCCC(O)CN(CCO)CCC(=O)O
inchi:
InChI=1/C17H35NO4/c1-2-3-4-5-6-7-8-9-10-16(20)15-18(13-14-19)12-11-17(21)22/h16,19-20H,2-15H2,1H3,(H,21,22)


name: N-(2-hydroxyethyl)-N-(2-hydroxytetradecyl)ß-alanine
cas: 70521-71-0
dtxsid: DTXSID70990722
formula: C19H39NO4
inchikey: UNQIFGWGEAIJPF-UHFFFAOYSA-N
norman_susdat_id: NS00061139
pubchem_cid: 44148676
smiles: O=C(O)CCN(CCO)CC(O)CCCCCCCCCCCC
inchi:
InChI=1/C19H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-18(22)17-20(15-16-21)14-13-19(23)24/h18,21-22H,2-17H2,1H3,(H,23,24)


name: N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)-ß-alanine
cas: 70521-72-1
dtxsid: DTXSID30990723
formula: C21H43NO4
inchikey: CGUAVSMYOABGKT-UHFFFAOYSA-N
norman_susdat_id: NS00061140
pubchem_cid: 44148782
smiles: O=C(O)CCN(CCO)CC(O)CCCCCCCCCCCCCC
inchi:
InChI=1/C21H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)19-22(17-18-23)16-15-21(25)26/h20,23-24H,2-19H2,1H3,(H,25,26)


name: N-(2-hydroxyethyl)-N-(2-hydroxyoctadecyl)-ß-alanine
cas: 70521-73-2
dtxsid: DTXSID90990724
formula: C23H47NO4
inchikey: FQTHQAYXTJLXFZ-UHFFFAOYSA-N
norman_susdat_id: NS00062752
pubchem_cid: 44145442
smiles: O=C(O)CCN(CCO)CC(O)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(26)21-24(19-20-25)18-17-23(27)28/h22,25-26H,2-21H2,1H3,(H,27,28)


name: Sodium N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-ß-alaninate
cas: 70521-74-3
dtxsid: DTXSID50990725
formula: C17H35NO4
inchikey: AWEMLNGDYQCSIB-UHFFFAOYSA-M
norman_susdat_id: NS00061778
pubchem_cid: 44150889
smiles: [Na+].O=C([O-])CCN(CCO)CC(O)CCCCCCCCCC
inchi:
InChI=1/C17H35NO4.Na/c1-2-3-4-5-6-7-8-9-10-16(20)15-18(13-14-19)12-11-17(21)22;/h16,19-20H,2-15H2,1H3,(H,21,22);/q;+1/p-1


name: Sodium N-(2-hydroxyethyl)-N-(2-hydroxytetradecyl)-ß-alaninate
cas: 70521-75-4
formula: C19H39NO4.Na
inchikey: CSNYQBCYYLYAJY-UHFFFAOYSA-M
norman_susdat_id: NS00090831
smiles: [Na+].CCCCCCCCCCCCC(O)CN(CCO)CCC(=O)[O-]
inchi:
InChI=1/C19H39NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18(22)17-20(15-16-21)14-13-19(23)24;/h18,21-22H,2-17H2,1H3,(H,23,24);/q;+1/p-1


name: Sodium N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)-ß-alaninate
cas: 70521-76-5
formula: C21H43NO4.Na
inchikey: KLBCTWHWQVIJHQ-UHFFFAOYSA-M
norman_susdat_id: NS00090596
smiles: [Na+].CCCCCCCCCCCCCCC(O)CN(CCO)CCC(=O)[O-]
inchi:
InChI=1/C21H43NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)19-22(17-18-23)16-15-21(25)26;/h20,23-24H,2-19H2,1H3,(H,25,26);/q;+1/p-1


name: Sodium N-(2-hydroxyethyl)-N-(2-hydroxyoctadecyl)-ß-alaninate
cas: 70521-77-6
formula: C23H47NO4.Na
inchikey: VCNGKCSMBXFILF-UHFFFAOYSA-M
norman_susdat_id: NS00091306
smiles: [Na+].CCCCCCCCCCCCCCCCC(O)CN(CCO)CCC(=O)[O-]
inchi:
InChI=1/C23H47NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(26)21-24(19-20-25)18-17-23(27)28;/h22,25-26H,2-21H2,1H3,(H,27,28);/q;+1/p-1


cas: 70528-89-1
dtxsid: DTXSID10889944
formula: C31H22ClFN10O13S4
inchikey: WZUCQNILFJNWEO-UHFFFAOYSA-J
norman_susdat_id: NS00062776
pubchem_cid: NA
name:
Tetrasodium 4-amino-6-[[5-[[4-[(3-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-5-hydroxy-3-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C31H22ClFN10O13S4.4Na/c32-15-2-1-3-17(12-15)35-30-37-29(33)38-31(39-30)36-18-6-9-21(58(48,49)50)20(13-18)41-43-27-23(60(54,55)56)11-14-10-22(59(51,52)53)26(25(34)24(14)28(27)44)42-40-16-4-7-19(8-5-16)57(45,46)47;;;;/h1-13,44H,34H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H2,35,36,37,38,39);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C(N)=C3C(C=C(C(N=NC4=CC(=CC=C4S(=O)(=O)[O-])NC=5N=C(F)N=C(N5)NC=6C=CC=C(Cl)C6)=C3O)S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])C=C1


name: 5-[(4-chloro-2-nitrophenyl)azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
cas: 70528-90-4
dtxsid: DTXSID0072069
formula: C15H13ClN5O4
inchikey: BBVOMHRLNCRXRH-UHFFFAOYSA-N
norman_susdat_id: NS00061188
pubchem_cid: NA
smiles: N#CC=1C(=O)N(C(O)=C(N=NC2=CC=C(Cl)C=C2[N+](=O)[O-])C1C)CC
inchi:
InChI=1/C15H12ClN5O4/c1-3-20-14(22)10(7-17)8(2)13(15(20)23)19-18-11-5-4-9(16)6-12(11)21(24)25/h4-6,23H,3H2,1-2H3


name: 2,4-dihydro-5-methyl-4-[[4-(methylsulphonyl)-2-nitrophenyl]azo]-2-phenyl-3H-pyrazol-3-imine
cas: 70528-91-5
dtxsid: DTXSID70887249
formula: C17H17N6O4S
inchikey: GHPLSOVHHRFMFR-UHFFFAOYSA-N
norman_susdat_id: NS00061796
pubchem_cid: 112212
smiles: O=[N+]([O-])C1=CC(=CC=C1N=NC2C(=N)N(N=C2C)C=3C=CC=CC3)S(=O)(=O)C
inchi:
InChI=1/C17H16N6O4S/c1-11-16(17(18)22(21-11)12-6-4-3-5-7-12)20-19-14-9-8-13(28(2,26)27)10-15(14)23(24)25/h3-10,16,18H,1-2H3


name: (E,E)-bis[(3,7-dimethyl-2,6-octadienyl)oxy]methoxymethylsilane
cas: 70544-82-0
formula: C22H40O3Si
inchikey: WFPLWCZUDFYEAG-KVVJQUGZSA-N
norman_susdat_id: NS00061189
pubchem_cid: 3018013
smiles: O(CC=C(C)CCC=C(C)C)C(OCC=C(C)CCC=C(C)C)OC[SiH3]
inchi:
InChI=1/C22H40O3Si/c1-18(2)9-7-11-20(5)13-15-23-22(25-17-26)24-16-14-21(6)12-8-10-19(3)4/h9-10,13-14,22H,7-8,11-12,15-17H2,1-6,26H3


name: 3-(5-Chlorobenzoxazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile
cas: 70546-12-2
chemspiderid: 17333455
dtxsid: DTXSID80220825
formula: C21H16Cl1N3O3
inchikey: AMMKISDXNUDHFE-UHFFFAOYSA-N
norman_susdat_id: NS00037063
pubchem_cid: 16205230
smiles: CCN(CC)c1cc2c(cc1)c(C#N)c(c1nc3c(o1)ccc(Cl)c3)c(=O)o2
inchi:
InChI=1S/C21H16ClN3O3/c1-3-25(4-2)13-6-7-14-15(11-23)19(21(26)28-18(14)10-13)20-24-16-9-12(22)5-8-17(16)27-20/h5-10H,3-4H2,1-2H3


name: 3-(benzothiazol-2-yl)-7-(diethylamino)-2-oxo-2H-1-benzopyran-4-carbonitrile
cas: 70546-25-7
chebiid: CHEBI:52119
dtxsid: DTXSID00887252
formula: C21H17N3O2S
inchikey: NDKYYKABKLOOAP-UHFFFAOYSA-N
norman_susdat_id: NS00062777
pubchem_cid: 112424
smiles: N#CC=1C2=CC=C(C=C2OC(=O)C1C3=NC=4C=CC=CC4S3)N(CC)CC
inchi:
InChI=1/C21H17N3O2S/c1-3-24(4-2)13-9-10-14-15(12-22)19(21(25)26-17(14)11-13)20-23-16-7-5-6-8-18(16)27-20/h5-11H,3-4H2,1-2H3


name: AJ-077/33270018
cas: 70553-62-7
chemspiderid: 1020900
dtxsid: DTXSID20361029
formula: C22H14N4O4
inchikey: TYWUMOFNWPUZTE-UHFFFAOYSA-N
norman_susdat_id: NS00016557
pubchem_cid: 1211926
smiles: C1=CC(=CC(=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)O)C4=NC5=C(N4)C=C(C=C5)C(=O)O
inchi:
InChI=1S/C22H14N4O4/c27-21(28)13-4-6-15-17(9-13)25-19(23-15)11-2-1-3-12(8-11)20-24-16-7-5-14(22(29)30)10-18(16)26-20/h1-10H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)


name: Septentrionine
cas: 70553-63-8
chebiid: CHEBI:9114
chemspiderid: 390356
dtxsid: DTXSID60331620
formula: C38H54N2O11
inchikey: PXDSODACKDGKHO-MOEGOFPBSA-N
norman_susdat_id: NS00094759
pubchem_cid: 441754
inchi:
InChI=1S/C38H54N2O11/c1-8-40-19-35(20-51-33(43)21-11-9-10-12-24(21)39-27(41)13-14-28(42)47-4)16-15-26(46-3)37-23-17-22-25(45-2)18-36(50-7,29(23)30(22)48-5)38(44,34(37)40)32(49-6)31(35)37/h9-12,22-23,25-26,29-32,34,44H,8,13-20H2,1-7H3,(H,39,41)/t22-,23-,25+,26+,29-,30+,31-,32+,34?,35+,36-,37+,38-/m1/s1

smiles:
[H]C12N(CC)C[C@]3(COC(=O)C4=CC=CC=C4NC(=O)CCC(=O)OC)CC[C@H](OC)[C@]11[C@@H]4C[C@H]5[C@H](OC)[C@@H]4[C@@](C[C@@H]5OC)(OC)[C@@]2(O)[C@@H](OC)[C@H]31


name: Herbimycin A
cas: 70563-58-5
chebiid: CHEBI:5674
chemspiderid: 10272738
dtxsid: DTXSID4042674
formula: C30H42N2O9
inchikey: MCAHMSDENAOJFZ-BVXDHVRPSA-N
norman_susdat_id: NS00011697
pubchem_cid: 5311102
inchi:
InChI=1S/C30H42N2O9/c1-16-10-9-11-23(37-5)28(41-30(31)36)18(3)12-17(2)27(40-8)24(38-6)13-19(4)26(39-7)21-14-20(33)15-22(25(21)34)32-29(16)35/h9-12,14-15,17,19,23-24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9-,16-10+,18-12+/t17-,19-,23-,24-,26+,27+,28-/m0/s1

smiles:
C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=CC=C(C(=O)NC2=CC(=O)C=C([C@@H]1OC)C2=O)/C)OC)OC(=O)N)C)C)OC)OC


name: 3,7-bis(dimethylamino)phenoxazin-5-ium chloride, compound with zinc chloride
cas: 7057-56-9
dtxsid: DTXSID30220850
formula: C16H18N3O
inchikey: UNIXSDSNQIVOEI-UHFFFAOYSA-K
norman_susdat_id: NS00043512
pubchem_cid: 162133
smiles: [Cl-].[Cl-].[Cl-].[Zn+2].N=1C2=CC=C(C=C2[O+]=C3C=C(C=CC13)N(C)C)N(C)C
inchi:
InChI=1/C16H18N3O.3ClH.Zn/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;;;;/h5-10H,1-4H3;3*1H;/q+1;;;;+2/p-3


name: 9-(dimethylamino)benzo[a]phenazin-7-ium chloride, compound with zinc chloride
cas: 7057-57-0
dtxsid: DTXSID20990797
formula: C18H15N3
inchikey: OZIFNEWPNKWURI-UHFFFAOYSA-L
norman_susdat_id: NS00044582
pubchem_cid: 21115757
smiles: [Cl-].[Cl-].[Cl-].[Zn+2].N=1C=2C=CC(=CC2[NH+]=C3C=CC=4C=CC=CC4C13)N(C)C
inchi:
InChI=1/C18H15N3.3ClH.Zn/c1-21(2)13-8-10-15-17(11-13)19-16-9-7-12-5-3-4-6-14(12)18(16)20-15;;;;/h3-11H,1-2H3;3*1H;/q;;;;+2/p-2


name: Didodecyl hydrogen phosphate
cas: 7057-92-3
formula: C24H51O4P
inchikey: JTXUVYOABGUBMX-UHFFFAOYSA-N
norman_susdat_id: NS00080801
smiles: CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC
inchi:
InChI=1/C24H51O4P/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26)


cas: 70571-70-9
dtxsid: DTXSID30890077
formula: C30H22FN7O10S3
inchikey: OZSZYYIHCQORMO-UHFFFAOYSA-K
norman_susdat_id: NS00062793
pubchem_cid: NA
name:
Trisodium 2-[[6-[[4-fluoro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C30H22FN7O10S3.3Na/c1-38(18-6-3-2-4-7-18)30-34-28(31)33-29(35-30)32-17-10-11-19-16(14-17)15-24(50(43,44)45)25(26(19)39)37-36-22-13-12-20-21(27(22)51(46,47)48)8-5-9-23(20)49(40,41)42;;;/h2-15,39H,1H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,32,33,34,35);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=CC=2C1=CC=C(N=NC=3C(O)=C4C=CC(=CC4=CC3S(=O)(=O)[O-])NC5=NC(F)=NC(=N5)N(C=6C=CC=CC6)C)C2S(=O)(=O)[O-]


name: Sodium 1-amino-4-[[4-(benzoylamino)phenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
cas: 70571-79-8
dtxsid: DTXSID50887702
formula: C27H19N3O6S
inchikey: JDIXQZYGGNJCJZ-UHFFFAOYSA-M
norman_susdat_id: NS00061191
pubchem_cid: 166143
smiles: [Na+].O=C(NC1=CC=C(C=C1)NC=2C=C(C(N)=C3C(=O)C=4C=CC=CC4C(=O)C23)S(=O)(=O)[O-])C=5C=CC=CC5
inchi:
InChI=1/C27H19N3O6S.Na/c28-24-21(37(34,35)36)14-20(22-23(24)26(32)19-9-5-4-8-18(19)25(22)31)29-16-10-12-17(13-11-16)30-27(33)15-6-2-1-3-7-15;/h1-14,29H,28H2,(H,30,33)(H,34,35,36);/q;+1/p-1


name: C.I. Acid Blue 324
cas: 70571-81-2
chemspiderid: 145526
dtxsid: DTXSID4036485
formula: C22H17N3O6S1
inchikey: MIBVDSFVCOIWCC-UHFFFAOYSA-M
norman_susdat_id: NS00019623
pubchem_cid: 102057910
smiles: [Na+].CC(=O)Nc1cccc(Nc2cc(c(N)c3c2C(=O)c2ccccc2C3=O)S(=O)(=O)[O-])c1
inchi:
InChI=1S/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: 2-(4-aminophenyl)-6-methylbenzothiazolesulphonic acid
cas: 70572-52-0
formula: C14H12N2O3S2
inchikey: CIQWSXLSSTYHKB-UHFFFAOYSA-N
norman_susdat_id: NS00091323
smiles: Cc1ccc2NC(Sc2c1)(c3ccc(N)cc3)S(=O)(=O)O
inchi:
InChI=1/C14H14N2O3S2/c1-9-2-7-12-13(8-9)20-14(16-12,21(17,18)19)10-3-5-11(15)6-4-10/h2-8,16H,15H2,1H3,(H,17,18,19)


name: Yunaconitine
cas: 70578-24-4
chebiid: CHEBI:132640
chemspiderid: 6918110
formula: C35H49NO11
inchikey: LLEMSCWAKNQHHA-SQJQOUDQSA-N
norman_susdat_id: NS00094345
pubchem_cid: 10227252
smiles:
CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=C(C=C7)OC)O)OC)OC(=O)C)OC)OC)O)COC


name: Copper(2+) (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-ß-alaninate
cas: 70581-71-4
formula: C9H17NO5.1/2Cu
inchikey: QUFKSSHMEXRJCK-UBKPKTQASA-L
norman_susdat_id: NS00090614
smiles: [Cu+2].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-].CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-]
inchi:
InChI=1/2C9H17NO5.Cu/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2


name: Triadimenol A
cas: 70585-35-2
dtxsid: DTXSID20904096
inchikey: BAZVSMNPJJMILC-STQMWFEESA-N
norman_susdat_id: NS00073845
smiles: [H][C@](OC1=CC=C(Cl)C=C1)([C@H](O)C(C)(C)C)N1C=NC=N1
inchi:
InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13-/m0/s1


name: Zinc bis(O,O-dioctyl) bis(dithiophosphate)
cas: 7059-16-7
formula: C16H35O2PS2.1/2Zn
inchikey: OFCLICZRRNTIOR-UHFFFAOYSA-L
norman_susdat_id: NS00080802
smiles: CCCCCCCCOP(=S)(OCCCCCCCC)S[Zn]SP(=S)(OCCCCCCCC)OCCCCCCCC
inchi:
InChI=1/2C16H35O2PS2.Zn/c2*1-3-5-7-9-11-13-15-17-19(20,21)18-16-14-12-10-8-6-4-2;/h2*3-16H2,1-2H3,(H,20,21);/q;;+2/p-2/rC32H68O4P2S4Zn/c1-5-9-13-17-21-25-29-33-37(39,34-30-26-22-18-14-10-6-2)41-43-42-38(40,35-31-27-23-19-15-11-7-3)36-32-28-24-20-16-12-8-4/h5-32H2,1-4H3


name: Chromomycin A3
cas: 7059-24-7
chemspiderid: 16735739
dtxsid: DTXSID4046363
formula: C56H80O27
inchikey: VWUDFIOZFAFOMW-QUOOOCNJSA-N
norman_susdat_id: NS00011870
pubchem_cid: 20054868
inchi:
InChI=1S/C56H80O27/c1-20-32(78-38-18-35(51(25(6)75-38)83-55(67)68)81-36-15-31(59)50(70-10)24(5)74-36)14-29-12-28-13-30(52(71-11)49(66)44(61)21(2)57)53(48(65)42(28)47(64)41(29)43(20)60)82-39-17-33(45(62)23(4)73-39)79-37-16-34(46(63)22(3)72-37)80-40-19-56(9,69)54(26(7)76-40)77-27(8)58/h12,14,21-26,30-31,33-40,44-46,50-54,57,59-64,69H,13,15-19H2,1-11H3,(H,67,68)/t21-,22-,23-,24-,25-,26+,30+,31-,33-,34-,35-,36-,37+,38+,39+,40+,44+,45-,46-,50+,51+,52+,53+,54+,56+/m1/s1

smiles:
Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H]([C@@H](C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@]([C@H]([C@@H](O6)C)OC(=O)C)(C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)OC(=O)O)O[C@@H]8C[C@H]([C@H]([C@H](O8)C)OC)O


name: 12-hydroxyoctadecan-1-amide
cas: 7059-49-6
dtxsid: DTXSID80863998
formula: C18H37NO2
inchikey: ALDZNWBBPCZXGH-UHFFFAOYSA-N
norman_susdat_id: NS00044583
pubchem_cid: 100147
smiles: O=C(N)CCCCCCCCCCC(O)CCCCCC
inchi:
InChI=1/C18H37NO2/c1-2-3-4-11-14-17(20)15-12-9-7-5-6-8-10-13-16-18(19)21/h17,20H,2-16H2,1H3,(H2,19,21)


name: N-[[(4-methoxyphenyl)amino]carbonyl]nicotinamide
cas: 70593-32-7
dtxsid: DTXSID20990813
formula: C14H13N3O3
inchikey: OMWHNVIIGWUJNB-UHFFFAOYSA-N
norman_susdat_id: NS00061594
pubchem_cid: 3018018
smiles: O=C(NC(=O)C=1C=NC=CC1)NC2=CC=C(OC)C=C2
inchi:
InChI=1/C14H13N3O3/c1-20-12-6-4-11(5-7-12)16-14(19)17-13(18)10-3-2-8-15-9-10/h2-9H,1H3,(H2,16,17,18,19)


name: Oleandomycin phosphate
cas: 7060-74-4
formula: C35H61NO12.H3O4P
inchikey: RLPCJGKQKFMBEI-JWNQHVKNSA-N
norman_susdat_id: NS00080803
inchi:
InChI=1/C35H61NO12.H3O4P/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34;1-5(2,3)4/h16-31,34,37-39H,12-15H2,1-11H3;(H3,1,2,3,4)

smiles:
OP(O)(=O)O.CN(C)[C@H]4C[C@@H](C)O[C@@H](O[C@@H]3[C@@H](C)[C@H](O[C@H]1C[C@H](OC)[C@@H](O)[C@H](C)O1)[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@]2(CO2)C[C@@H]3C)[C@@H]4O


name: Sodium bis(tridecafluorohexyl)phosphinate
cas: 70609-44-8
dtxsid: DTXSID40896707
formula: C12F26NaO2P
inchikey: KJVRYSHRRDRBEW-UHFFFAOYSA-M
norman_susdat_id: NS00110479
inchi:
InChI=1S/C12HF26O2P.Na/c13-1(14,5(21,22)9(29,30)31)3(17,18)7(25,26)11(35,36)41(39,40)12(37,38)8(27,28)4(19,20)2(15,16)6(23,24)10(32,33)34;/h(H,39,40);/q;+1/p-1

smiles:
[Na+].[O-]P(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Sodium 1-lauroyl-L-prolinate
cas: 70609-63-1
formula: C17H31NO3.Na
inchikey: SPZDDBQUYSHZDF-RSAXXLAASA-M
norman_susdat_id: NS00090973
smiles: [Na+].CCCCCCCCCCCC(=O)N1CCC[C@H]1C(=O)[O-]
inchi:
InChI=1/C17H31NO3.Na/c1-2-3-4-5-6-7-8-9-10-13-16(19)18-14-11-12-15(18)17(20)21;/h15H,2-14H2,1H3,(H,20,21);/q;+1/p-1


name: Sodium N-(1-oxododecyl)-L-serinate
cas: 70609-64-2
formula: C15H29NO4.Na
inchikey: WSGBFSXSXAKJJC-ZOWNYOTGSA-M
norman_susdat_id: NS00091531
smiles: [Na+].CCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)[O-]
inchi:
InChI=1/C15H29NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-14(18)16-13(12-17)15(19)20;/h13,17H,2-12H2,1H3,(H,16,18)(H,19,20);/q;+1/p-1


name: 2-((1-Oxododecyl)amino)ethanesulphonic acid
cas: 70609-66-4
chebiid: CHEBI:132475
chemspiderid: 2284201
dtxsid: DTXSID60193720
formula: C14H29N1O4S1
inchikey: KCFRUUYAXCDZNZ-UHFFFAOYSA-N
norman_susdat_id: NS00014067
pubchem_cid: 3016215
smiles: [Na+].CCCCCCCCCCCC(=O)NCC[S]([O-])(=O)=O
inchi:
InChI=1S/C14H29NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-14(16)15-12-13-20(17,18)19;/h2-13H2,1H3,(H,15,16)(H,17,18,19);/q;+1/p-1


cas: 70609-70-0
dtxsid: DTXSID30990824
formula: C35H39ClN2O4
inchikey: CHXPSEQZCSTBHH-UHFFFAOYSA-N
norman_susdat_id: NS00061944
pubchem_cid: 3018021
smiles: O=C(NC1=CC(=CC=C1Cl)NC(=O)COC2=CC=C(C=C2C(C)(C)CC)C(C)(C)CC)C=3C=CC=4C=CC=CC4C3O
name:
N-[5-[[[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-2-chlorophenyl]-1-hydroxynaphthalene-2-carboxamide

inchi:
InChI=1/C35H39ClN2O4/c1-7-34(3,4)23-14-18-30(27(19-23)35(5,6)8-2)42-21-31(39)37-24-15-17-28(36)29(20-24)38-33(41)26-16-13-22-11-9-10-12-25(22)32(26)40/h9-20,40H,7-8,21H2,1-6H3,(H,37,39)(H,38,41)


name: Acetamide, N-[2-[(2-chloro-4-nitrophenyl)azo]-5-(diethylamino)phenyl]-
cas: 70609-95-9
chemspiderid: 100765
dtxsid: DTXSID9072072
formula: C18H20Cl1N5O3
inchikey: ALRWCCVYBUUROI-UHFFFAOYSA-N
norman_susdat_id: NS00037070
pubchem_cid: 112426
smiles: CCN(CC)c1cc(NC(=O)C)c(cc1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C18H20ClN5O3/c1-4-23(5-2)13-6-9-17(18(11-13)20-12(3)25)22-21-16-8-7-14(24(26)27)10-15(16)19/h6-11H,4-5H2,1-3H3,(H,20,25)


name: 1H-Pyrazole-3-carboxylic acid, 1-(4-amino-2-sulfophenyl)-4,5-dihydro-5-oxo-
cas: 70616-71-6
chemspiderid: 100774
dtxsid: DTXSID4072077
formula: C10H9N3O6S1
inchikey: WXQMQGBHEYGHMN-UHFFFAOYSA-N
norman_susdat_id: NS00037071
pubchem_cid: 112435
smiles: Nc1cc(c(cc1)N1N=C(CC1=O)C(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C10H9N3O6S/c11-5-1-2-7(8(3-5)20(17,18)19)13-9(14)4-6(12-13)10(15)16/h1-3H,4,11H2,(H,15,16)(H,17,18,19)


cas: 70616-89-6
chemspiderid: 7850583
dtxsid: DTXSID9072078
formula: C24H18Cl1N7O10S3
inchikey: IHVXOVVDYSKGMH-UHFFFAOYSA-K
norman_susdat_id: NS00020340
pubchem_cid: 101935490
name:
1,5-Naphthalenedisulfonic acid, 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, trisodium salt

inchi:
InChI=1S/C24H18ClN7O10S3/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36/h2-10,30H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H2,26,27,28,29)/b31-19-

smiles:
[Na+].[Na+].[Na+].CN(c1cc2c(cc1)C(=O)/C(=NNc1c(c3c(cc1)c(ccc3)S(=O)(=O)[O-])S(=O)(=O)[O-])/C(=C2)S(=O)(=O)[O-])c1nc(Cl)nc(N)n1


cas: 70616-90-9
formula: C24H16Cl2N6O10S3.3Na
inchikey: ARXWHYHTMGGNST-UHFFFAOYSA-K
norman_susdat_id: NS00090983
name:
Trisodium 2-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C24H16Cl2N6O10S3.3Na/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36;;;/h2-10,33H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].CN(c1nc(Cl)nc(Cl)n1)c4cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O


cas: 70624-18-9
norman_susdat_id: NS00112574
name:
poly[[6-[(1,1,3,3-tetramethylbutyl)aminol]-s-triazine-2,4-diyl][(2,2,6,6-tetramethyl-4-piperidyl)imino]]hexamethylylene[(2,2,6,6-tetramethyl-4-piperidyl)imino]


cas: 70624-21-4
formula: C21H34Cl2O3
norman_susdat_id: NS00101644
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[3-chloro-2-(3-chloro-2-hydroxypropoxy)propyl]-.omega.-(4-nonylphenoxy)-


cas: 70627-97-3
dtxsid: DTXSID30896554
formula: C15F22O3
inchikey: UEECKBUYHXWTDF-UHFFFAOYSA-N
norman_susdat_id: NS00110122
smiles: Fc1c(F)c(F)c(C(=O)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)c1F
name:
2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-1-(pentafluorophenyl)propan-1-one

inchi:
InChI=1/C15F22O3/c16-2-1(3(17)5(19)6(20)4(2)18)7(38)8(21,11(25,26)27)39-15(36,37)10(24,13(31,32)33)40-14(34,35)9(22,23)12(28,29)30


name: Metalaxyl-M
cas: 70630-17-0
chebiid: CHEBI:60607
chemspiderid: 9325271
dtxsid: DTXSID8032671
formula: C15H21N1O4
inchikey: ZQEIXNIJLIKNTD-GFCCVEGCSA-N
norman_susdat_id: NS00003738
pubchem_cid: 11150163
smiles: COCC(=O)N([C@H](C)C(=O)OC)c1c(C)cccc1C
eea_notation: CAS_70630-17-0
inchi:
InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3/t12-/m1/s1


cas: 70632-07-4
dtxsid: DTXSID90890078
formula: C36H29N7O13S3
inchikey: UFFIYJABIVVDGX-UHFFFAOYSA-K
norman_susdat_id: NS00063175
pubchem_cid: NA
name:
Trisodium 4-amino-5-hydroxy-3-[[4'-[(4-hydroxyphenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C36H29N7O13S3.3Na/c1-55-28-15-19(3-13-26(28)40-38-22-5-9-24(44)10-6-22)20-4-14-27(29(16-20)56-2)41-42-34-30(58(49,50)51)17-21-18-31(59(52,53)54)35(36(45)32(21)33(34)37)43-39-23-7-11-25(12-8-23)57(46,47)48;;;/h3-18,44-45H,37H2,1-2H3,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=C(O)C=3C(C=C2S(=O)(=O)[O-])=CC(=C(N=NC4=CC=C(C=C4OC)C=5C=CC(N=NC6=CC=C(O)C=C6)=C(OC)C5)C3N)S(=O)(=O)[O-])C=C1


cas: 70632-08-5
dtxsid: DTXSID50890079
formula: C36H30N8O13S3
inchikey: ZRUCDQANWKQELY-UHFFFAOYSA-K
norman_susdat_id: NS00063193
pubchem_cid: NA
name:
Trisodium 4-amino-3-[[4'-[(2-amino-4-hydroxyphenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C36H30N8O13S3.3Na/c1-56-28-13-18(3-10-26(28)41-40-25-12-7-22(45)17-24(25)37)19-4-11-27(29(14-19)57-2)42-43-34-30(59(50,51)52)15-20-16-31(60(53,54)55)35(36(46)32(20)33(34)38)44-39-21-5-8-23(9-6-21)58(47,48)49;;;/h3-17,45-46H,37-38H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=C(O)C=3C(C=C2S(=O)(=O)[O-])=CC(=C(N=NC4=CC=C(C=C4OC)C=5C=CC(N=NC6=CC=C(O)C=C6N)=C(OC)C5)C3N)S(=O)(=O)[O-])C=C1


cas: 70632-09-6
dtxsid: DTXSID8072081
formula: C33H28N8O6S
inchikey: PCIVUQFBACAUBZ-UHFFFAOYSA-L
norman_susdat_id: NS00063194
pubchem_cid: NA
name:
Dilithium 5-[[4'-[[2,6-diamino-3-[(4-sulphonatophenyl)azo]phenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C33H28N8O6S.2Li/c1-18-15-20(3-11-27(18)38-37-23-7-14-30(42)25(17-23)33(43)44)21-4-12-28(19(2)16-21)39-41-32-26(34)10-13-29(31(32)35)40-36-22-5-8-24(9-6-22)48(45,46)47;;/h3-17,42H,34-35H2,1-2H3,(H,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Li+].[Li+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2C)C3=CC=C(N=NC=4C(N)=CC=C(N=NC5=CC=C(C=C5)S(=O)(=O)[O-])C4N)C(=C3)C)=CC=C1O


name: 3-amino-7-[(2,4-diaminophenyl)azo]-2,8-dimethyl-5-phenylphenazinium chloride
cas: 70632-11-0
dtxsid: DTXSID60990852
formula: C26H24N7
inchikey: YSQYZEMKAREMTM-UHFFFAOYSA-N
norman_susdat_id: NS00061597
pubchem_cid: 112441
smiles: [Cl-].N(=NC1=CC2=C(N=C3C=C(C(N)=CC3=[N+]2C=4C=CC=CC4)C)C=C1C)C5=CC=C(N)C=C5N
inchi:
InChI=1/C26H23N7.ClH/c1-15-10-23-25(13-19(15)28)33(18-6-4-3-5-7-18)26-14-22(16(2)11-24(26)30-23)32-31-21-9-8-17(27)12-20(21)29;/h3-14H,1-2H3,(H5,27,28,29,32);1H


name: Bis[2,2-bis[(allyloxy)methyl]butyl] maleate
cas: 70636-59-8
formula: C28H44O8
inchikey: UTQSYOHXPNKDGF-YPKPFQOOSA-N
norman_susdat_id: NS00061598
pubchem_cid: 6432911
smiles: O=C(OCC(COCC=C)(COCC=C)CC)C=CC(=O)OCC(COCC=C)(COCC=C)CC
inchi:
InChI=1/C28H44O8/c1-7-15-31-19-27(11-5,20-32-16-8-2)23-35-25(29)13-14-26(30)36-24-28(12-6,21-33-17-9-3)22-34-18-10-4/h7-10,13-14H,1-4,11-12,15-24H2,5-6H3


name: 5-methyl 3-phenylpropyl 5-carboxylato-a-cyano-1,3,3-trimethylindoline-<U+0394>2,<U+03B3>-crotonate
cas: 7064-71-3
dtxsid: DTXSID4064555
formula: C27H28N2O4
inchikey: PTQRSTLQMHJFDC-UHFFFAOYSA-N
norman_susdat_id: NS00043514
pubchem_cid: 111254
smiles: N#CC(=CC=C1N(C2=CC=C(C=C2C1(C)C)C(=O)OC)C)C(=O)OCCCC=3C=CC=CC3
inchi:
InChI=1/C27H28N2O4/c1-27(2)22-17-20(25(30)32-4)12-14-23(22)29(3)24(27)15-13-21(18-28)26(31)33-16-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,17H,8,11,16H2,1-4H3


cas: 70644-43-8
formula: C21H36O9S2
norman_susdat_id: NS00101713
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[2-(2-hydroxy-3-sulfopropoxy)-3-sulfopropyl]-.omega.-(4-nonylphenoxy)-, disodium salt


name: Potassium hexadecyl sulphate
cas: 7065-13-6
formula: C16H34O4S.K
inchikey: GBEYVKHMIPVAHD-UHFFFAOYSA-M
norman_susdat_id: NS00080413
smiles: [K+].CCCCCCCCCCCCCCCCOS(=O)(=O)[O-]
inchi:
InChI=1/C16H34O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H,17,18,19);/q;+1/p-1


name: Oxybis[diphenylstibine]
cas: 7065-22-7
formula: C24H20OSb2
inchikey: CSVAYJHTGPLYJZ-UHFFFAOYSA-N
norman_susdat_id: NS00080819
smiles: O([Sb](c1ccccc1)c2ccccc2)[Sb](c3ccccc3)c4ccccc4
inchi:
InChI=1/4C6H5.O.2Sb/c4*1-2-4-6-5-3-1;;;/h4*1-5H;;;/rC24H20OSb2/c1-5-13-21(14-6-1)26(22-15-7-2-8-16-22)25-27(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H


name: [(4-methoxyphenyl)methyl] hydrogen [4-[(tetrahydro-2H-pyran-2-yl)oxy]phenyl]malonate
cas: 70653-29-1
dtxsid: DTXSID70990883
formula: C22H24O7
inchikey: WSXXVZZKAKUJEO-UHFFFAOYSA-N
norman_susdat_id: NS00060953
pubchem_cid: 12763316
smiles: O=C(O)C(C(=O)OCC1=CC=C(OC)C=C1)C2=CC=C(OC3OCCCC3)C=C2
inchi:
InChI=1/C22H24O7/c1-26-17-9-5-15(6-10-17)14-28-22(25)20(21(23)24)16-7-11-18(12-8-16)29-19-4-2-3-13-27-19/h5-12,19-20H,2-4,13-14H2,1H3,(H,23,24)


cas: 70653-54-2
dtxsid: DTXSID30990884
formula: C41H38N6O10S
inchikey: TYTWNEXLMSXPBY-UHFFFAOYSA-N
norman_susdat_id: NS00060954
pubchem_cid: 13423423
name:
Benzhydryl 7-[[2-(4-hydroxyphenyl)-3-(4-methoxybenzyloxy)-3-oxopropionyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

inchi:
InChI=1/C41H38N6O10S/c1-46-40(43-44-45-46)58-24-29-23-56-39-41(54-3,38(52)47(39)33(29)37(51)57-34(27-10-6-4-7-11-27)28-12-8-5-9-13-28)42-35(49)32(26-16-18-30(48)19-17-26)36(50)55-22-25-14-20-31(53-2)21-15-25/h4-21,32,34,39,48H,22-24H2,1-3H3,(H,42,49)

smiles:
O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C3=C(COC4N3C(=O)C4(OC)NC(=O)C(C(=O)OCC5=CC=C(OC)C=C5)C6=CC=C(O)C=C6)CSC7=NN=NN7C


cas: 70660-45-6
chemspiderid: 7851126
dtxsid: DTXSID8072089
formula: C25H20N8O11S2
inchikey: BGGDFJOSVFIDAM-UHFFFAOYSA-N
norman_susdat_id: NS00037075
pubchem_cid: NA
smiles: Nc1cc(N)c(cc1N/N=C1/C=C(C=C(C(=O)O)C1=O)S(=O)(=O)O)N=Nc1ccc(Nc2c(cc(cc2)[N+](=O)[O-])S(=O)(=O)O)cc1
name:
Benzoic acid, 3-[[2,4-diamino-5-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]phenyl]azo]-2-hydroxy-5-sulfo-

inchi:
InChI=1S/C25H20N8O11S2/c26-17-10-18(27)21(31-32-22-9-15(45(39,40)41)8-16(24(22)34)25(35)36)11-20(17)30-29-13-3-1-12(2-4-13)28-19-6-5-14(33(37)38)7-23(19)46(42,43)44/h1-11,28,31H,26-27H2,(H,35,36)(H,39,40,41)(H,42,43,44)/b30-29?,32-22-


cas: 70660-46-7
chemspiderid: 17287960
dtxsid: DTXSID7072090
formula: C28H18N10O15S2
inchikey: RPJPUAFITPRDCK-UHFFFAOYSA-N
norman_susdat_id: NS00037076
pubchem_cid: 16131250
name:
2,7-Naphthalenedisulfonic acid, 4-[[2-amino-4-hydroxy-5-[(2-hydroxy-3,5-dinitrophenyl)azo]-3-[(4-nitrophenyl)azo]phenyl]azo]-5-hydroxy-

inchi:
InChI=1S/C28H18N10O15S2/c29-25-19(32-31-18-9-16(54(48,49)50)5-12-6-17(55(51,52)53)10-23(39)24(12)18)11-21(28(41)26(25)35-30-13-1-3-14(4-2-13)36(42)43)34-33-20-7-15(37(44)45)8-22(27(20)40)38(46)47/h1-11,39-41H,29H2,(H,48,49,50)(H,51,52,53)/b32-31+,34-33+,35-30+

smiles:
Nc1c(N=Nc2ccc(cc2)[N+](=O)[O-])c(O)c(cc1N=Nc1c2c(O)cc(cc2cc(c1)S(=O)(=O)O)S(=O)(=O)O)N=Nc1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]


cas: 70660-47-8
chemspiderid: 7851127
dtxsid: DTXSID2072091
formula: C24H20N8O9S2
inchikey: NHVZQBVLWFFFOQ-UHFFFAOYSA-N
norman_susdat_id: NS00037077
pubchem_cid: NA
smiles: Nc1cc(N)c(cc1N/N=C/1C=C(C=CC1=O)S(=O)(=O)O)N=Nc1ccc(Nc2c(cc(cc2)[N+](=O)[O-])S(=O)(=O)O)cc1
name:
Benzenesulfonic acid, 2-[[4-[[2,4-diamino-5-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo]phenyl]amino]-5-nitro-

inchi:
InChI=1S/C24H20N8O9S2/c25-17-11-18(26)21(30-31-22-10-16(42(36,37)38)6-8-23(22)33)12-20(17)29-28-14-3-1-13(2-4-14)27-19-7-5-15(32(34)35)9-24(19)43(39,40)41/h1-12,27,30H,25-26H2,(H,36,37,38)(H,39,40,41)/b29-28-,31-22+


name: 2-[Butyl(3-methylphenyl)amino]ethyl (3,4-dichlorophenyl)carbamate
cas: 70660-48-9
chemspiderid: 85926
dtxsid: DTXSID7072092
formula: C20H24Cl2N2O2
inchikey: IBUXMXQANREFOV-UHFFFAOYSA-N
norman_susdat_id: NS00037078
pubchem_cid: 116779
smiles: CCCCN(CCOC(=O)Nc1cc(Cl)c(Cl)cc1)c1cc(C)ccc1
inchi:
InChI=1S/C20H24Cl2N2O2/c1-3-4-10-24(17-7-5-6-15(2)13-17)11-12-26-20(25)23-16-8-9-18(21)19(22)14-16/h5-9,13-14H,3-4,10-12H2,1-2H3,(H,23,25)


name: 4,4'-iminobisbenzenediazonium bis(trichlorozincate)
cas: 70660-52-5
formula: C12H9N5.2Cl3Zn
inchikey: FORWEMGGHSBSHJ-UHFFFAOYSA-H
norman_susdat_id: NS00090518
smiles: Cl[Zn-](Cl)Cl.Cl[Zn-](Cl)Cl.N#[N+]c1ccc(Nc2ccc(cc2)[N+]#N)cc1
inchi:
InChI=1/C12H9N5.6ClH.2Zn/c13-16-11-5-1-9(2-6-11)15-10-3-7-12(17-14)8-4-10;;;;;;;;/h1-8,15H;6*1H;;/q+2;;;;;;;2*+2/p-6/rC12H9N5.2Cl3Zn/c13-16-11-5-1-9(2-6-11)15-10-3-7-12(17-14)8-4-10;2*1-4(2)3/h1-8,15H;;/q+2;2*-1


name: Ethanol, 2,2'-[[3-methyl-4-[(6-nitro-2-benzothiazolyl)azo]phenyl]imino]bis-, diacetate (ester)
cas: 70660-53-6
chemspiderid: 104387
dtxsid: DTXSID2072093
formula: C22H23N5O6S1
inchikey: QWTGQMDYCRRUTB-UHFFFAOYSA-N
norman_susdat_id: NS00037079
pubchem_cid: 116780
smiles: CC(=O)OCCN(CCOC(=O)C)c1cc(C)c(cc1)N=Nc1nc2c(s1)cc(cc2)[N+](=O)[O-]
inchi:
InChI=1S/C22H23N5O6S/c1-14-12-17(26(8-10-32-15(2)28)9-11-33-16(3)29)4-6-19(14)24-25-22-23-20-7-5-18(27(30)31)13-21(20)34-22/h4-7,12-13H,8-11H2,1-3H3/b25-24+


name: N-[4-[(4-hydroxy[1,1'-biphenyl]-3-yl)azo]phenyl]acetamide
cas: 70660-54-7
dtxsid: DTXSID7072094
formula: C20H17N3O2
inchikey: HMDMKWUYPKVKNM-UHFFFAOYSA-N
norman_susdat_id: NS00062607
pubchem_cid: 116781
smiles: O=C(NC1=CC=C(N=NC=2C=C(C=CC2O)C=3C=CC=CC3)C=C1)C
inchi:
InChI=1/C20H17N3O2/c1-14(24)21-17-8-10-18(11-9-17)22-23-19-13-16(7-12-20(19)25)15-5-3-2-4-6-15/h2-13,25H,1H3,(H,21,24)


name: 1-Naphthalenamine, 4-[(2-bromo-4,6-dinitrophenyl)azo]-N-(3-methoxypropyl)-
cas: 70660-55-8
chemspiderid: 104388
dtxsid: DTXSID2072095
formula: C20H18Br1N5O5
inchikey: MMJKUMWJCYGICY-UHFFFAOYSA-N
norman_susdat_id: NS00020341
pubchem_cid: 116782
smiles: COCCCNc1c2ccccc2c(cc1)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C20H18BrN5O5/c1-31-10-4-9-22-17-7-8-18(15-6-3-2-5-14(15)17)23-24-20-16(21)11-13(25(27)28)12-19(20)26(29)30/h2-3,5-8,11-12,22H,4,9-10H2,1H3/b24-23+


name: Benzenesulfonamide, N-butyl-3-nitro-4-(phenylamino)-
cas: 70660-56-9
chemspiderid: 104389
dtxsid: DTXSID7072096
formula: C16H19N3O4S1
inchikey: QXBHALGSANZZJB-UHFFFAOYSA-N
norman_susdat_id: NS00037081
pubchem_cid: 116783
smiles: CCCCNS(=O)(=O)c1cc(c(Nc2ccccc2)cc1)[N+](=O)[O-]
inchi:
InChI=1S/C16H19N3O4S/c1-2-3-11-17-24(22,23)14-9-10-15(16(12-14)19(20)21)18-13-7-5-4-6-8-13/h4-10,12,17-18H,2-3,11H2,1H3


name: 1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-m-tolyl]ethylamino]ethyl]pyridinium hydrogen sulphate
cas: 70660-58-1
formula: C22H22Cl2N5O2.HO4S
inchikey: CETWZRFHWSAAFL-UHFFFAOYSA-M
norman_susdat_id: NS00090746
smiles: [H+].[O-]S([O-])(=O)=O.[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1C)N(CC[n+]2ccccc2)CC)c(Cl)c3
inchi:
InChI=1/C22H22Cl2N5O2.H2O4S.H2/c1-3-28(12-11-27-9-5-4-6-10-27)17-7-8-21(16(2)13-17)25-26-22-19(23)14-18(29(30)31)15-20(22)24;1-5(2,3)4;/h4-10,13-15H,3,11-12H2,1-2H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


name: 3-[(2,4,6-trimethylheptyl)oxy]propylammonium acetate
cas: 70660-61-6
dtxsid: DTXSID70887709
formula: C13H29NO
inchikey: SFDHJKYDQUJGDT-UHFFFAOYSA-N
norman_susdat_id: NS00061389
pubchem_cid: 116672
smiles: O=C([O-])C.O(CCC[NH3+])CC(C)CC(C)CC(C)C
inchi:
InChI=1/C13H29NO.C2H4O2/c1-11(2)8-12(3)9-13(4)10-15-7-5-6-14;1-2(3)4/h11-13H,5-10,14H2,1-4H3;1H3,(H,3,4)


name: Gratiogenin
cas: 7067-16-5
chebiid: CHEBI:5540
chemspiderid: 441824
formula: C30H48O4
inchikey: DJFUSGZOFOKWFY-HVNJZMCDSA-N
norman_susdat_id: NS00094073
pubchem_cid: 390405
smiles:
C[C@]1(CC[C@H](O1)C(C)(C)O)[C@H]2CC[C@@]3([C@@]2(CC(=O)[C@@]4([C@H]3CC=C5[C@H]4CC[C@@H](C5(C)C)O)C)C)C


name: Butyltricyclohexylstannane
cas: 7067-44-9
dtxsid: DTXSID9064558
formula: C22H42Sn
inchikey: VLPGTXIBYJXPOB-UHFFFAOYSA-N
norman_susdat_id: NS00043515
pubchem_cid: NA
smiles: CCCC[Sn](C1CCCCC1)(C2CCCCC2)C3CCCCC3
inchi:
InChI=1/3C6H11.C4H9.Sn/c3*1-2-4-6-5-3-1;1-3-4-2;/h3*1H,2-6H2;1,3-4H2,2H3;/rC22H42Sn/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h20-22H,2-19H2,1H3


name: Perfluorodecane amide betaine
cas: 70674-74-7
dtxsid: DTXSID30892950
formula: C17H15F19N2O3
inchikey: SIPZTYNQWUTWPT-UHFFFAOYSA-N
norman_susdat_id: NS00109990
smiles: C[N+](C)(CCCNC(=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)C(F)(F)F)CC([O-])=O
inchi:
InChI=1S/C17H15F19N2O3/c1-38(2,6-7(39)40)5-3-4-37-8(41)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)36/h3-6H2,1-2H3,(H-,37,39,40,41)


name: Pimavanserin
cas: 706779-91-1
chebiid: CHEBI:133017
dtxsid: DTXSID90990906
formula: C25H34FN3O2
inchikey: RKEWSXXUOLRFBX-UHFFFAOYSA-N
norman_susdat_id: NS00071545
pubchem_cid: 10071196
smiles: CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
inchi:
InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)


name: 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-o-(tetradecyloxy)-2-(1H-1,2,4-triazol-1-yl)acetophenone
cas: 70679-13-9
dtxsid: DTXSID70990909
formula: C31H43N7O2S
inchikey: VSSHSKDCYKQYKX-UHFFFAOYSA-N
norman_susdat_id: NS00061390
pubchem_cid: NA
smiles: O=C(C)C1C(OCCCCCCCCCCCCCC)=CC=CC1(SC2=NN=NN2C=3C=CC=CC3)N4N=CN=C4
inchi:
InChI=1/C31H43N7O2S/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-40-28-21-18-22-31(29(28)26(2)39,37-25-32-24-33-37)41-30-34-35-36-38(30)27-19-15-14-16-20-27/h14-16,18-22,24-25,29H,3-13,17,23H2,1-2H3


name: 2-Naphthalenesulfonamide, 6-hydroxy-N-(2-hydroxyethyl)-N-methyl-
cas: 70682-63-2
chemspiderid: 100141
dtxsid: DTXSID2072099
formula: C13H15N1O4S1
inchikey: BNGPSCLHKGSOLB-UHFFFAOYSA-N
norman_susdat_id: NS00037084
pubchem_cid: 116793
smiles: CN(CCO)S(=O)(=O)c1cc2ccc(O)cc2cc1
inchi:
InChI=1S/C13H15NO4S/c1-14(6-7-15)19(17,18)13-5-3-10-8-12(16)4-2-11(10)9-13/h2-5,8-9,15-16H,6-7H2,1H3


name: O,O-bis(sec-butyl) hydrogen dithiophosphate, compound with dicyclohexylamine (1:1)
cas: 70682-65-4
formula: C12H23N.C8H19O2PS2
inchikey: XIAQKZQARUSYBU-UHFFFAOYSA-N
norman_susdat_id: NS00090748
smiles: CCC(C)OP(=S)(S)OC(C)CC.C1CCC(CC1)NC2CCCCC2
inchi:
InChI=1/C12H23N.C8H19O2PS2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5-7(3)9-11(12,13)10-8(4)6-2/h11-13H,1-10H2;7-8H,5-6H2,1-4H3,(H,12,13)


name: Octadecanamide, N-[2-[(2-cyanoethyl)[2-[(2-cyanoethyl)amino]ethyl]amino]ethyl]-
cas: 70682-67-6
chemspiderid: 100144
dtxsid: DTXSID9072101
formula: C28H53N5O1
inchikey: AJXLSPSYZHGABA-UHFFFAOYSA-N
norman_susdat_id: NS00037086
pubchem_cid: 116796
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)CCC#N
inchi:
InChI=1S/C28H53N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28(34)32-24-27-33(25-18-21-30)26-23-31-22-17-20-29/h31H,2-19,22-27H2,1H3,(H,32,34)


cas: 70682-68-7
formula: C28H53N5O.C4H10O4S
inchikey: NYVBZUNUTNXUPO-UHFFFAOYSA-N
norman_susdat_id: NS00090519
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNCCC#N)CCC#N.CCOS(=O)(=O)OCC
name:
Diethyl sulphate, compound with N-[2-[(2-cyanoethyl)[2-[(2-cyanoethyl)amino]ethyl]amino]ethyl]octadecanamide (1:1)

inchi:
InChI=1/C28H53N5O.C4H10O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28(34)32-24-27-33(25-18-21-30)26-23-31-22-17-20-29;1-3-7-9(5,6)8-4-2/h31H,2-19,22-27H2,1H3,(H,32,34);3-4H2,1-2H3


name: Sodium 3-[2-(2-heptyl-4,5-dihydro-1H-imidazol-1-yl)ethoxy]isobutyrate
cas: 70682-69-8
dtxsid: DTXSID10887541
formula: C16H30N2O3
inchikey: LBUQSWLRXNWJAY-UHFFFAOYSA-M
norman_susdat_id: NS00062608
pubchem_cid: 116675
smiles: [Na+].O=C([O-])C(C)COCCN1C(=NCC1)CCCCCCC
inchi:
InChI=1/C16H30N2O3.Na/c1-3-4-5-6-7-8-15-17-9-10-18(15)11-12-21-13-14(2)16(19)20;/h14H,3-13H2,1-2H3,(H,19,20);/q;+1/p-1


name: N,N'-[[(2-cyanoethyl)imino]diethylene]bisdocosanamide
cas: 70682-70-1
formula: C51H100N4O2
inchikey: CTJCAXHYNZCWLX-UHFFFAOYSA-N
norman_susdat_id: NS00091234
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCCCCCC)CCC#N
inchi:
InChI=1/C51H100N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-50(56)53-45-48-55(47-41-44-52)49-46-54-51(57)43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-43,45-49H2,1-2H3,(H,53,56)(H,54,57)


name: Diethyl sulphate, compound with N,N'-[[(2-cyanoethyl)imino]diethylene]bis[docosanamide] (1:1)
cas: 70682-71-2
dtxsid: DTXSID4072104
formula: C51H100N4O2
inchikey: YVOFDDZGIFJJAQ-UHFFFAOYSA-N
norman_susdat_id: NS00061392
pubchem_cid: 116798
smiles: N#CCCN(CCNC(=O)CCCCCCCCCCCCCCCCCCCCC)CCNC(=O)CCCCCCCCCCCCCCCCCCCCC.O=S(=O)(OCC)OCC
inchi:
InChI=1/C51H100N4O2.C4H10O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-50(56)53-45-48-55(47-41-44-52)49-46-54-51(57)43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-7-9(5,6)8-4-2/h3-43,45-49H2,1-2H3,(H,53,56)(H,54,57);3-4H2,1-2H3


name: Tetradecyl benzoate
cas: 70682-72-3
dtxsid: DTXSID70887542
formula: C21H34O2
inchikey: YQOBYINWABKLFC-UHFFFAOYSA-N
norman_susdat_id: NS00060955
pubchem_cid: 64671
smiles: O=C(OCCCCCCCCCCCCCC)C=1C=CC=CC1
inchi:
InChI=1/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23-21(22)20-17-14-13-15-18-20/h13-15,17-18H,2-12,16,19H2,1H3


name: 4-methyl-5-[4-[(1-methylethyl)thio]phenyl]-3-octyloxazolidin-2-one
cas: 70687-99-9
dtxsid: DTXSID30990925
formula: C21H33NO2S
inchikey: UMRYNDVEINOMAE-UHFFFAOYSA-N
norman_susdat_id: NS00062625
pubchem_cid: 3018024
smiles: O=C1OC(C2=CC=C(SC(C)C)C=C2)C(N1CCCCCCCC)C
inchi:
InChI=1/C21H33NO2S/c1-5-6-7-8-9-10-15-22-17(4)20(24-21(22)23)18-11-13-19(14-12-18)25-16(2)3/h11-14,16-17,20H,5-10,15H2,1-4H3


name: Retinyl propionate
cas: 7069-42-3
chemspiderid: 4908583
formula: C23H34O2
inchikey: SFRPDSKECHTFQA-ONOWFSFQSA-N
norman_susdat_id: NS00007709
pubchem_cid: 6394572
smiles: CCC(=O)OCC=C(/C)C=CC=C(/C)C=CC1=C(C)CCCC1(C)C
inchi:
InChI=1S/C23H34O2/c1-7-22(24)25-17-15-19(3)11-8-10-18(2)13-14-21-20(4)12-9-16-23(21,5)6/h8,10-11,13-15H,7,9,12,16-17H2,1-6H3/b11-8+,14-13+,18-10+,19-15+


name: 2,4-bis(1-methyl-1-phenylethyl)-6-[(2-nitrophenyl)azo]phenol
cas: 70693-50-4
dtxsid: DTXSID1028994
formula: C30H30N3O3
inchikey: CZEIGGLJGJHNCD-UHFFFAOYSA-N
norman_susdat_id: NS00062634
pubchem_cid: 116810
smiles: O=[N+]([O-])C=1C=CC=CC1N=NC=2C=C(C=C(C2O)C(C=3C=CC=CC3)(C)C)C(C=4C=CC=CC4)(C)C
inchi:
InChI=1/C30H29N3O3/c1-29(2,21-13-7-5-8-14-21)23-19-24(30(3,4)22-15-9-6-10-16-22)28(34)26(20-23)32-31-25-17-11-12-18-27(25)33(35)36/h5-20,34H,1-4H3


name: Acetamide, N-[3-[[2-(acetyloxy)ethyl](phenylmethyl)amino]-4-methoxyphenyl]-
cas: 70693-57-1
chemspiderid: 100153
dtxsid: DTXSID8072110
formula: C20H24N2O4
inchikey: FQPUJVKCDSBZLW-UHFFFAOYSA-N
norman_susdat_id: NS00037088
pubchem_cid: 116812
smiles: COC1=C(C=C(NC(C)=O)C=C1)N(CCOC(C)=O)CC1=CC=CC=C1
inchi:
InChI=1S/C20H24N2O4/c1-15(23)21-18-9-10-20(25-3)19(13-18)22(11-12-26-16(2)24)14-17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3,(H,21,23)


name: Benzenesulfonamide, N-cyclohexyl-N-methyl-2-nitro-
cas: 70693-58-2
chemspiderid: 99931
dtxsid: DTXSID3072111
formula: C13H18N2O4S1
inchikey: USBCPCFTYCPFDC-UHFFFAOYSA-N
norman_susdat_id: NS00037089
pubchem_cid: 116813
smiles: CN(C1CCCCC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
inchi:
InChI=1S/C13H18N2O4S/c1-14(11-7-3-2-4-8-11)20(18,19)13-10-6-5-9-12(13)15(16)17/h5-6,9-11H,2-4,7-8H2,1H3


name: 2-Amino-N-cyclohexyl-N-methylbenzenesulfonamide
cas: 70693-59-3
chemspiderid: 87864
dtxsid: DTXSID1044982
formula: C13H20N2O2S1
inchikey: IPEHSCPRVOWQFQ-UHFFFAOYSA-N
norman_susdat_id: NS00037090
pubchem_cid: 116814
smiles: CN(C1CCCCC1)S(=O)(=O)c1c(N)cccc1
inchi:
InChI=1S/C13H20N2O2S/c1-15(11-7-3-2-4-8-11)18(16,17)13-10-6-5-9-12(13)14/h5-6,9-11H,2-4,7-8,14H2,1H3


name: Sodium 2-[[4-[(2-chlorobenzyl)ethylamino]-m-tolyl]azo]benzothiazole-6-sulphonate
cas: 70693-60-6
dtxsid: DTXSID00887712
formula: C23H21ClN4O3S2
inchikey: WJKZYROVBMHQHB-UHFFFAOYSA-M
norman_susdat_id: NS00062660
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C=1C=CC=2N=C(N=NC3=CC=C(C(=C3)C)N(CC=4C=CC=CC4Cl)CC)SC2C1
inchi:
InChI=1/C23H21ClN4O3S2.Na/c1-3-28(14-16-6-4-5-7-19(16)24)21-11-8-17(12-15(21)2)26-27-23-25-20-10-9-18(33(29,30)31)13-22(20)32-23;/h4-13H,3,14H2,1-2H3,(H,29,30,31);/q;+1/p-1


name: pentapotassium bis(peroxymonosulphate) bis(sulphate)
cas: 70693-62-8
dtxsid: DTXSID8051415
formula: H3K5O18S4
inchikey: HJKYXKSLRZKNSI-UHFFFAOYSA-I
norman_susdat_id: NS00113333
smiles: [K+].[K+].[K+].[K+].[K+].OS([O-])(=O)=O.[O-]S([O-])(=O)=O.OS(=O)(=O)O[O-].OS(=O)(=O)O[O-]
inchi:
InChI=1S/5K.2H2O5S.2H2O4S/c;;;;;2*1-5-6(2,3)4;2*1-5(2,3)4/h;;;;;2*1H,(H,2,3,4);2*(H2,1,2,3,4)/q5*+1;;;;/p-5


name: Benzenamine, N,N-diethyl-3-methyl-4-(2-thiazolylazo)-
cas: 70693-63-9
chemspiderid: 104418
dtxsid: DTXSID3072113
formula: C14H18N4S1
inchikey: KSBRYSDWPIMNEO-UHFFFAOYSA-N
norman_susdat_id: NS00037091
pubchem_cid: 116815
smiles: CCN(CC)c1cc(C)c(cc1)N=Nc1nccs1
inchi:
InChI=1S/C14H18N4S/c1-4-18(5-2)12-6-7-13(11(3)10-12)16-17-14-15-8-9-19-14/h6-10H,4-5H2,1-3H3/b17-16+


name: Diethyl sulphate, compound with N,N'-[[(2-cyanoethyl)imino]diethylene]bis[octadecanamide] (1:1)
cas: 70693-75-3
formula: C43H84N4O2.C4H10O4S
inchikey: RCLIBJFBPOKHPA-UHFFFAOYSA-N
norman_susdat_id: NS00090540
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)CCC#N.CCOS(=O)(=O)OCC
inchi:
InChI=1/C43H84N4O2.C4H10O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-42(48)45-37-40-47(39-33-36-44)41-38-46-43(49)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-7-9(5,6)8-4-2/h3-35,37-41H2,1-2H3,(H,45,48)(H,46,49);3-4H2,1-2H3


name: 1H-Indene-1,3(2H)-dione, 2-(ar,4-dibromo-3-hydroxy-2(1H)-quinolinylidene)-
cas: 70701-76-7
chemspiderid: 104421
dtxsid: DTXSID3072115
formula: C18H9Br2N1O3
inchikey: FXYCRHTTXGCOSV-UHFFFAOYSA-N
norman_susdat_id: NS00037093
pubchem_cid: 116818
smiles: Oc1c(Br)c2c(cccc2Br)nc1C1C(=O)c2ccccc2C1=O
inchi:
InChI=1S/C18H9Br2NO3/c19-10-6-3-7-11-12(10)14(20)18(24)15(21-11)13-16(22)8-4-1-2-5-9(8)17(13)23/h1-7,13,24H


name: Strontium 3-hydroxy-4-[[1-(sulphonatomethyl)-2-naphthyl]azo]-2-naphthoate
cas: 70703-34-3
formula: C22H16N2O6S.Sr
inchikey: JFGVPKUWJDAONQ-UHFFFAOYSA-L
norman_susdat_id: NS00090541
smiles: [Sr+2].[O-]S(=O)(=O)Cc3c4ccccc4ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O
inchi:
InChI=1/C22H16N2O6S.Sr/c25-21-17(22(26)27)11-14-6-2-4-8-16(14)20(21)24-23-19-10-9-13-5-1-3-7-15(13)18(19)12-31(28,29)30;/h1-11,25H,12H2,(H,26,27)(H,28,29,30);/q;+2/p-2


cas: 70703-44-5
formula: C12H30O7Si2
norman_susdat_id: NS00101639
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[tris(2-hydroxyethyl)silyl]-.omega.-[[tris(2-hydroxyethyl)silyl]oxy]-


name: 2-methoxyethyl 12-(acetoxy)octadecanoate
cas: 70703-47-8
dtxsid: DTXSID60887713
formula: C23H44O5
inchikey: QVEPPTMINGAUIA-UHFFFAOYSA-N
norman_susdat_id: NS00061657
pubchem_cid: 116679
smiles: O=C(OC(CCCCCC)CCCCCCCCCCC(=O)OCCOC)C
inchi:
InChI=1/C23H44O5/c1-4-5-6-13-16-22(28-21(2)24)17-14-11-9-7-8-10-12-15-18-23(25)27-20-19-26-3/h22H,4-20H2,1-3H3


name: Vinconate
cas: 70704-03-9
formula: C18H20N2O2
inchikey: JWOSSISWAJNJIA-UHFFFAOYSA-N
norman_susdat_id: NS00062661
pubchem_cid: 68896
smiles: O=C(OC)C1=CCC2C3=C(C=4C=CC=CC4N13)CCN2CC
inchi:
InChI=1/C18H20N2O2/c1-3-19-11-10-13-12-6-4-5-7-14(12)20-16(18(21)22-2)9-8-15(19)17(13)20/h4-7,9,15H,3,8,10-11H2,1-2H3


name: a-[2-(1-pyrrolidinyl)ethyl]-a-(p-tolyl)pyridine-2-methanol
cas: 70708-28-0
formula: C19H24N2O
inchikey: LOJXVYLBLFSBBB-UHFFFAOYSA-N
norman_susdat_id: NS00062662
pubchem_cid: 11970576
smiles: OC(C1=NC=CC=C1)(C2=CC=C(C=C2)C)CCN3CCCC3
inchi:
InChI=1/C19H24N2O/c1-16-7-9-17(10-8-16)19(22,18-6-2-3-12-20-18)11-15-21-13-4-5-14-21/h2-3,6-10,12,22H,4-5,11,13-15H2,1H3


name: Diammonium hydrogen 7-aminonaphthalene-1,3,6-trisulphonate
cas: 70714-69-1
formula: C10H9NO9S3.2H3N
inchikey: GTFTYISZEPQXHQ-UHFFFAOYSA-M
norman_susdat_id: NS00090681
smiles: [NH4+].[NH4+].Nc1cc2c(cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO9S3.2H3N/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);2*1H3/p-1


name: 2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(2-methoxy-4-nitrophenyl)azo]-
cas: 70714-70-4
chemspiderid: 7851132
dtxsid: DTXSID2072124
formula: C18H13N3O6
inchikey: BPKGQYUDMVTNRG-UHFFFAOYSA-N
norman_susdat_id: NS00037096
pubchem_cid: NA
smiles: COc1c(N/N=C/2C(=O)C(=Cc3ccccc23)C(=O)O)ccc(c1)[N+](=O)[O-]
inchi:
InChI=1S/C18H13N3O6/c1-27-15-9-11(21(25)26)6-7-14(15)19-20-16-12-5-3-2-4-10(12)8-13(17(16)22)18(23)24/h2-9,19H,1H3,(H,23,24)/b20-16-


cas: 70714-71-5
chemspiderid: 104428
dtxsid: DTXSID7072125
formula: C14H8Cl1F2N3O4S1
inchikey: WAWGVMJAKPOFRZ-UHFFFAOYSA-M
norman_susdat_id: NS00037097
pubchem_cid: 101531225
smiles: [Na+].Oc1c2ccc(Nc3nc(F)nc(F)c3Cl)cc2cc(c1)S(=O)(=O)[O-]
name:
2-Naphthalenesulfonic acid, 7-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-, monosodium salt

inchi:
InChI=1S/C14H8ClF2N3O4S/c15-11-12(16)19-14(17)20-13(11)18-7-1-2-9-6(3-7)4-8(5-10(9)21)25(22,23)24/h1-5,21H,(H,18,19,20)(H,22,23,24)


name: Ethanedioic acid, bis(1,1-dimethyl-2-phenylethyl) ester
cas: 70714-74-8
chemspiderid: 104431
dtxsid: DTXSID7072127
formula: C22H26O4
inchikey: JNQGUZHCDNTTRD-UHFFFAOYSA-N
norman_susdat_id: NS00037098
pubchem_cid: 116831
smiles: CC(C)(Cc1ccccc1)OC(=O)C(=O)OC(C)(C)Cc1ccccc1
inchi:
InChI=1S/C22H26O4/c1-21(2,15-17-11-7-5-8-12-17)25-19(23)20(24)26-22(3,4)16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3


name: Disodium N-(1-oxoallyl)-L-aspartate
cas: 70714-76-0
dtxsid: DTXSID60890080
formula: C7H9NO5
inchikey: BYPTTXMQZBFJBL-FHNDMYTFSA-L
norman_susdat_id: NS00061008
pubchem_cid: 116682
smiles: [Na+].[Na+].O=C([O-])CC(NC(=O)C=C)C(=O)[O-]
inchi:
InChI=1/C7H9NO5.2Na/c1-2-5(9)8-4(7(12)13)3-6(10)11;;/h2,4H,1,3H2,(H,8,9)(H,10,11)(H,12,13);;/q;2*+1/p-2


name: 7-chloro-1-ethyl-4-methylquinolinium toluene-p-sulphonate
cas: 70714-80-6
dtxsid: DTXSID40887716
formula: C12H13ClN
inchikey: SWDCPEYCWOLTDT-UHFFFAOYSA-M
norman_susdat_id: NS00061422
pubchem_cid: 21125069
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.ClC1=CC=C2C(=C1)[N+](=CC=C2C)CC
inchi:
InChI=1/C12H13ClN.C7H8O3S/c1-3-14-7-6-9(2)11-5-4-10(13)8-12(11)14;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


cas: 70714-82-8
dtxsid: DTXSID00887717
formula: C30H29N2O4S
inchikey: CQFDBBTZXKBNIX-UHFFFAOYSA-M
norman_susdat_id: NS00061658
pubchem_cid: NA
name:
2-[2-(2,5-dihydro-2-methyl-5-oxo-3-phenylisoxazol-4-yl)vinyl]-1-ethyl-3,3-dimethyl-5-(phenylsulphonyl)-3H-indolium toluene-p-sulphonate

inchi:
InChI=1/C30H29N2O4S.C7H8O3S/c1-5-32-26-18-16-23(37(34,35)22-14-10-7-11-15-22)20-25(26)30(2,3)27(32)19-17-24-28(31(4)36-29(24)33)21-12-8-6-9-13-21;1-6-2-4-7(5-3-6)11(8,9)10/h6-20H,5H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

smiles:
O=C1ON(C(C=2C=CC=CC2)=C1C=CC3=[N+](C=4C=CC(=CC4C3(C)C)S(=O)(=O)C=5C=CC=CC5)CC)C.O=S(=O)([O-])C1=CC=C(C=C1)C


name: Dibutyl [[(diethylamino)thioxomethyl]thio]succinate
cas: 70715-09-2
dtxsid: DTXSID60887718
formula: C17H31NO4S2
inchikey: PWMKDAYGQYJJMT-UHFFFAOYSA-N
norman_susdat_id: NS00062976
pubchem_cid: 116683
smiles: O=C(OCCCC)CC(SC(=S)N(CC)CC)C(=O)OCCCC
inchi:
InChI=1/C17H31NO4S2/c1-5-9-11-21-15(19)13-14(16(20)22-12-10-6-2)24-17(23)18(7-3)8-4/h14H,5-13H2,1-4H3


name: Oleic acid, compound with N,N-dimethylhexadecylamine (1:1)
cas: 70715-10-5
formula: C18H39N.C18H34O2
inchikey: LDQUQVWBPCWXJT-SVMKZPJVSA-N
norman_susdat_id: NS00091530
smiles: CCCCCCCCCCCCCCCCN(C)C.CCCCCCCC\C=C/CCCCCCCC(=O)O
inchi:
InChI=1/C18H39N.C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-18H2,1-3H3;9-10H,2-8,11-17H2,1H3,(H,19,20)


name: Oleic acid, compound with N,N-dimethyltetradecylamine (1:1)
cas: 70715-11-6
formula: C18H34O2.C16H35N
inchikey: URQJVDIQFZLSQF-KVVVOXFISA-N
norman_susdat_id: NS00091412
smiles: CCCCCCCCCCCCCCN(C)C.CCCCCCCC\C=C/CCCCCCCC(=O)O
inchi:
InChI=1/C18H34O2.C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-16H2,1-3H3


name: Stearic acid, compound with N,N-dimethyldodecylamine (1:1)
cas: 70715-12-7
formula: C18H36O2.C14H31N
inchikey: PTFXSPOKTOSTLD-UHFFFAOYSA-N
norman_susdat_id: NS00092037
smiles: CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCN(C)C
inchi:
InChI=1/C18H36O2.C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h2-17H2,1H3,(H,19,20);4-14H2,1-3H3


name: Oleic acid, compound with (Z)-N,N-dimethyloctadec-9-enylamine (1:1)
cas: 70715-13-8
formula: C20H41N.C18H34O2
inchikey: RQPVLZDUSMVKJH-RNCLGPNQSA-N
norman_susdat_id: NS00091299
smiles: CCCCCCCC\C=C/CCCCCCCCN(C)C.CCCCCCCC\C=C/CCCCCCCC(=O)O
inchi:
InChI=1/C20H41N.C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,4-10,13-20H2,1-3H3;9-10H,2-8,11-17H2,1H3,(H,19,20)


name: Oleic acid, compound with N-[3-(dimethylamino)propyl]oleamide (1:1)
cas: 70715-14-9
formula: C23H46N2O.C18H34O2
inchikey: XLAFVLJQVVZACK-RNCLGPNQSA-N
norman_susdat_id: NS00091300
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.CCCCCCCC\C=C/CCCCCCCC(=O)NCCCN(C)C
inchi:
InChI=1/C23H46N2O.C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,4-10,13-22H2,1-3H3,(H,24,26);9-10H,2-8,11-17H2,1H3,(H,19,20)


name: 1-Piperidinecarboxamide, 4,4'-(1,3-propanediyl)bis-
cas: 70715-18-3
chemspiderid: 104448
dtxsid: DTXSID1072139
formula: C15H28N4O2
inchikey: CCWJQXMSRPVJPF-UHFFFAOYSA-N
norman_susdat_id: NS00037101
pubchem_cid: 116852
smiles: NC(=O)N1CCC(CCCC2CCN(CC2)C(=O)N)CC1
inchi:
InChI=1S/C15H28N4O2/c16-14(20)18-8-4-12(5-9-18)2-1-3-13-6-10-19(11-7-13)15(17)21/h12-13H,1-11H2,(H2,16,20)(H2,17,21)


name: 9,10-Anthracenedione, 6,7-dichloro-1,4-bis[(4-methylphenyl)amino]-
cas: 70729-59-8
chemspiderid: 65587
dtxsid: DTXSID5072141
formula: C28H20Cl2N2O2
inchikey: UHUSIGIXPSHDGG-UHFFFAOYSA-N
norman_susdat_id: NS00037104
pubchem_cid: 72749
smiles: Cc1ccc(Nc2c3C(=O)c4c(cc(Cl)c(Cl)c4)C(=O)c3c(Nc3ccc(C)cc3)cc2)cc1
inchi:
InChI=1S/C28H20Cl2N2O2/c1-15-3-7-17(8-4-15)31-23-11-12-24(32-18-9-5-16(2)6-10-18)26-25(23)27(33)19-13-21(29)22(30)14-20(19)28(26)34/h3-14,31-32H,1-2H3


name: Carbamic acid, [2-[ethyl(3-methylphenyl)amino]phenyl]-, ethyl ester
cas: 70729-60-1
chemspiderid: 104450
dtxsid: DTXSID0072142
formula: C18H22N2O2
inchikey: WYZVJXUEYWUVMU-UHFFFAOYSA-N
norman_susdat_id: NS00037105
pubchem_cid: 116854
smiles: CCOC(=O)Nc1c(cccc1)N(CC)c1cc(C)ccc1
inchi:
InChI=1S/C18H22N2O2/c1-4-20(15-10-8-9-14(3)13-15)17-12-7-6-11-16(17)19-18(21)22-5-2/h6-13H,4-5H2,1-3H3,(H,19,21)


name: Perfluoro(4-[(4-ethyl-3,4-dimethylhex-2-en-2-yl)oxy])benzene-1-sulfonate tributylammonium
cas: 70729-63-4
dtxsid: DTXSID5072143
formula: C28H32F19NO4S
inchikey: MHILTJBQMRGMCQ-UHFFFAOYSA-N
norman_susdat_id: NS00110576
inchi:
InChI=1S/C16H5F19O4S.C12H27N/c17-10(18,19)7(8(11(20,21)22)39-5-1-3-6(4-2-5)40(36,37)38)9(14(27,28)29,12(23,24)15(30,31)32)13(25,26)16(33,34)35;1-4-7-10-13(11-8-5-2)12-9-6-3/h1-4H,(H,36,37,38);4-12H2,1-3H3

smiles:
CCCC[NH+](CCCC)CCCC.[O-]S(=O)(=O)C1=CC=C(OC(=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F)C=C1


cas: 70729-64-5
formula: C22H17N4O13PS3.H3N.3Na
inchikey: LMDCIBKKADONFG-UHFFFAOYSA-J
norman_susdat_id: NS00091447
name:
Ammonium trisodium 7-hydroxy-8-[[4-[(m-phosphonatophenyl)azo]-2-sulphonatophenyl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C22H17N4O13PS3.H3N.3Na/c27-18-7-4-12-8-16(41(31,32)33)11-20(43(37,38)39)21(12)22(18)26-25-17-6-5-14(10-19(17)42(34,35)36)24-23-13-2-1-3-15(9-13)40(28,29)30;;;;/h1-11,27H,(H2,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);1H3;;;/q;;3*+1/p-4

smiles:
[NH4+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)c1cccc(c1)N=Nc4ccc(N=Nc2c3c(ccc2O)cc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O


cas: 70729-65-6
chemspiderid: 21168139
dtxsid: DTXSID0072144
formula: C22H24N6O9
inchikey: FIIPIQBWGBRMTN-UHFFFAOYSA-N
norman_susdat_id: NS00020342
pubchem_cid: 116855
smiles: COC(=O)CCN(CCC(=O)OC)c1cc(NC(=O)C)c(cc1)N=Nc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]
name:
.beta.-Alanine, N-[3-(acetylamino)-4-[(2,4-dinitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester

inchi:
InChI=1S/C22H24N6O9/c1-14(29)23-19-12-15(26(10-8-21(30)36-2)11-9-22(31)37-3)4-6-17(19)24-25-18-7-5-16(27(32)33)13-20(18)28(34)35/h4-7,12-13H,8-11H2,1-3H3,(H,23,29)/b25-24+


name: Tetraethylene glycol diheptanoate
cas: 70729-68-9
chemspiderid: 46358
dtxsid: DTXSID6028995
formula: C22H42O7
inchikey: SSKNCQWPZQCABD-UHFFFAOYSA-N
norman_susdat_id: NS00013951
pubchem_cid: 51154
smiles: CCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCC
inchi:
InChI=1S/C22H42O7/c1-3-5-7-9-11-21(23)28-19-17-26-15-13-25-14-16-27-18-20-29-22(24)12-10-8-6-4-2/h3-20H2,1-2H3


name: 2,2',2''-[(butylstannylidyne)tris(thio)]triethanol
cas: 70729-71-4
dtxsid: DTXSID5072147
formula: C10H24O3S3Sn
inchikey: UZMMIZJMWXQBIK-UHFFFAOYSA-K
norman_susdat_id: NS00064512
pubchem_cid: NA
smiles: OCCS[Sn](SCCO)(SCCO)CCCC
inchi:
InChI=1/C4H9.3C2H6OS.Sn/c1-3-4-2;3*3-1-2-4;/h1,3-4H2,2H3;3*3-4H,1-2H2;/q;;;;+3/p-3/rC10H24O3S3Sn/c1-2-3-10-17(14-7-4-11,15-8-5-12)16-9-6-13/h11-13H,2-10H2,1H3


cas: 70750-63-9
dtxsid: DTXSID50893580
formula: C70H95CuN9O3S
inchikey: IPHJYJHJDIGARM-UHFFFAOYSA-M
norman_susdat_id: NS00113683
name:
1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, (SP-4-2)-[29H,31H-phthalocyanine-2-sulfonato(3-)-?N29,?N30,?N31,?N32]cuprate(1-) (1:1)

inchi:
InChI=1S/C38H80N.C32H16N8O3S.Cu/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;41-44(42,43)16-13-14-23-24(15-16)32-39-30-22-12-6-5-11-21(22)28(37-30)35-26-18-8-2-1-7-17(18)25(33-26)34-27-19-9-3-4-10-20(19)29(36-27)38-31(23)40-32;/h5-38H2,1-4H3;1-15H,(H-2,33,34,35,36,37,38,39,40,41,42,43);/q+1;-2;+2/p-1

smiles:
[Cu++].CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[O-]S(=O)(=O)C1=CC=C2C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C5N=C(N=C([N-]3)C2=C1)C1=CC=CC=C51)C1=CC=CC=C41


name: Dodecyldimethyltetradecylammonium bromide
cas: 70755-46-3
dtxsid: DTXSID90991014
formula: C28H60N
inchikey: VWOZKDKGQSCTLX-UHFFFAOYSA-M
norman_susdat_id: NS00063261
pubchem_cid: 44147891
smiles: [Br-].CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC
inchi:
InChI=1/C28H60N.BrH/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-29(3,4)27-25-23-21-19-16-14-12-10-8-6-2;/h5-28H2,1-4H3;1H/q+1;/p-1


name: Dihexadecyldimethylammonium bromide
cas: 70755-47-4
formula: C34H72N.Br
inchikey: VIXPKJNAOIWFMW-UHFFFAOYSA-M
norman_susdat_id: NS00091448
smiles: [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C34H72N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-34H2,1-4H3;1H/q+1;/p-1


cas: 70755-50-9
dtxsid: DTXSID60896643
formula: C7F15KO5S
inchikey: XIICCSXABGIGJL-UHFFFAOYSA-M
norman_susdat_id: NS00111146
smiles: [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)F
name:
Potassium 1,1,2,2-tetrafluoro-2-{[1,1,1,2,3,3-hexafluoro-3-(pentafluoroethoxy)propan-2-yl]oxy}ethane-1-sulfonate

inchi:
InChI=1/C7HF15O5S.K/c8-1(2(9,10)11,4(15,16)27-5(17,18)3(12,13)14)26-6(19,20)7(21,22)28(23,24)25;/h(H,23,24,25);/q;+1/p-1


name: Bis(bicyclo[2.2.1]hept-5-en-2-ylmethyl) methyl phosphite
cas: 70766-48-2
dtxsid: DTXSID70887724
formula: C17H25O3P
inchikey: GRHMZHVDKFWUNS-UHFFFAOYSA-N
norman_susdat_id: NS00064515
pubchem_cid: 116687
smiles: O(P(OCC1CC2C=CC1C2)OCC3CC4C=CC3C4)C
inchi:
InChI=1/C17H25O3P/c1-18-21(19-10-16-8-12-2-4-14(16)6-12)20-11-17-9-13-3-5-15(17)7-13/h2-5,12-17H,6-11H2,1H3


name: Dimethyl (1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-yl)methyl phosphite
cas: 70766-49-3
dtxsid: DTXSID30887725
formula: C15H23O3P
inchikey: CXSSLOLTFYXFDC-UHFFFAOYSA-N
norman_susdat_id: NS00063050
pubchem_cid: 116688
smiles: O(P(OC)OCC1CC2CC1C3C4C=CC(C4)C23)C
inchi:
InChI=1/C15H23O3P/c1-16-19(17-2)18-8-12-6-11-7-13(12)15-10-4-3-9(5-10)14(11)15/h3-4,9-15H,5-8H2,1-2H3


name: Methyl bis[(1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-yl)methyl] phosphite
cas: 70766-50-6
dtxsid: DTXSID90887726
formula: C27H37O3P
inchikey: UEMDWNLDOFKCLT-UHFFFAOYSA-N
norman_susdat_id: NS00063262
pubchem_cid: 116689
smiles: O(P(OCC1CC2CC1C3C4C=CC(C4)C23)OCC5CC6CC5C7C8C=CC(C8)C67)C
inchi:
InChI=1/C27H37O3P/c1-28-31(29-12-20-8-18-10-22(20)26-16-4-2-14(6-16)24(18)26)30-13-21-9-19-11-23(21)27-17-5-3-15(7-17)25(19)27/h2-5,14-27H,6-13H2,1H3


cas: 70766-51-7
dtxsid: DTXSID50887727
formula: C22H31P
inchikey: SGWVAMSJVBTVOB-UHFFFAOYSA-N
norman_susdat_id: NS00064516
pubchem_cid: NA
smiles: C1=CC2CC1CC2CP(C)CC3CC4CC3C5C6C=CC(C6)C45
name:
[bicyclo[2.2.1]hept-5-en-2-ylmethyl](methyl)[(1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-yl)methyl]phosphine

inchi:
InChI=1/C22H31P/c1-23(11-18-7-13-2-3-14(18)6-13)12-19-9-17-10-20(19)22-16-5-4-15(8-16)21(17)22/h2-5,13-22H,6-12H2,1H3


name: 3-(2,5-dihydro-3,4-dimethyl-2,5-dioxo-1H-pyrrol-1-yl)-N-[3-(methyldipropoxysilyl)propyl]phthalimide
cas: 70767-01-0
dtxsid: DTXSID20991022
formula: C24H32N2O6Si
inchikey: ISPRFJNJHCBLAZ-UHFFFAOYSA-N
norman_susdat_id: NS00063263
pubchem_cid: 3018033
smiles: O=C1C2=CC=CC(=C2C(=O)N1CCC[Si](OCCC)(OCCC)C)N3C(=O)C(=C(C3=O)C)C
inchi:
InChI=1/C24H32N2O6Si/c1-6-13-31-33(5,32-14-7-2)15-9-12-25-23(29)18-10-8-11-19(20(18)24(25)30)26-21(27)16(3)17(4)22(26)28/h8,10-11H,6-7,9,12-15H2,1-5H3


name: C15, 6 EO Carboxymethylated acid
cas: 7077-30-7
chemspiderid: 100182
formula: C27H54O8
inchikey: DJUVEZNORNUPJO-UHFFFAOYSA-N
norman_susdat_id: NS00095108
pubchem_cid: 111687
smiles: O=C(O)COCCOCCOCCOCCOCCOCCCCCCCCCCCCCCC
inchi:
InChI=1S/C27H54O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-30-16-17-31-18-19-32-20-21-33-22-23-34-24-25-35-26-27(28)29/h2-26H2,1H3,(H,28,29)


name: 2-[[4-(dimethylamino)phenyl]azo]-1-methylpyridinium methyl sulphate
cas: 7077-55-6
dtxsid: DTXSID60884282
formula: C14H17N4
inchikey: NLEHFKASPKAUJA-UHFFFAOYSA-M
norman_susdat_id: NS00044161
pubchem_cid: 21115762
smiles: O=S(=O)([O-])OC.N(=NC=1C=CC=C[N+]1C)C2=CC=C(C=C2)N(C)C
inchi:
InChI=1/C14H17N4.CH4O4S/c1-17(2)13-9-7-12(8-10-13)15-16-14-6-4-5-11-18(14)3;1-5-6(2,3)4/h4-11H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 70776-17-9
dtxsid: DTXSID4072154
formula: C5H10O8P2
inchikey: JCDRSDQQFZMLMN-UHFFFAOYSA-N
norman_susdat_id: NS00063474
pubchem_cid: 155571
smiles: O=P1(O)OCC2(CO1)COP(=O)(O)OC2.N=1C(=NC(=NC1N)N)N.N=1C(=NC(=NC1N)N)N
name:
1,3,5-triazine-2,4,6-triamine, compound with 3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide (2:1)

inchi:
InChI=1/C5H10O8P2.2C3H6N6/c6-14(7)10-1-5(2-11-14)3-12-15(8,9)13-4-5;2*4-1-7-2(5)9-3(6)8-1/h1-4H2,(H,6,7)(H,8,9);2*(H6,4,5,6,7,8,9)


cas: 70776-19-1
formula: C30H20ClN7O12S3.3Na
inchikey: LDAJEGCAUAHDAT-UHFFFAOYSA-K
norman_susdat_id: NS00092225
name:
Trisodium hydrogen 4-[[4-chloro-6-[[8-hydroxy-3,6-disulphonato-7-[(1-sulphonato-2-naphthyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]benzoate

inchi:
InChI=1/C30H20ClN7O12S3.3Na.H2/c31-28-34-29(32-17-8-5-15(6-9-17)27(40)41)36-30(35-28)33-21-13-18(51(42,43)44)11-16-12-22(52(45,46)47)24(25(39)23(16)21)38-37-20-10-7-14-3-1-2-4-19(14)26(20)53(48,49)50;;;;/h1-13,39H,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,32,33,34,35,36);;;;1H/q;4*+1/p-4

smiles:
[H+].[Na+].[Na+].[Na+].Clc6nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S([O-])(=O)=O)c(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc5ccc(cc5)C([O-])=O)n6


cas: 70776-20-4
formula: C24H17Cl2N7O8S2.2Na
inchikey: BQHRYUSKRYSBKJ-HMUQXFFYSA-L
norman_susdat_id: NS00091475
name:
Disodium 5-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]phenyl]azo]-2-[2-(4-nitro-2-sulphonatophenyl)vinyl]benzenesulphonate

inchi:
InChI=1/C24H17Cl2N7O8S2.2Na/c25-23-28-22(29-24(26)30-23)13-27-16-6-8-17(9-7-16)31-32-18-5-3-14(20(11-18)42(36,37)38)1-2-15-4-10-19(33(34)35)12-21(15)43(39,40)41;;/h1-12,27H,13H2,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2

smiles:
[Na+].[Na+].Clc4nc(CNc3ccc(N=Nc2ccc(/C=C/c1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)c(c2)S([O-])(=O)=O)cc3)nc(Cl)n4


name: 1-(2-carboxylatoethyl)-2-heptyl-4,5-dihydro-3-(2-hydroxyethyl)-1H-imidazolium
cas: 70776-59-9
dtxsid: DTXSID9072159
formula: C15H30N2O3
inchikey: XCEZAGKRPPXZLL-UHFFFAOYSA-N
norman_susdat_id: NS00063318
pubchem_cid: NA
smiles: O=C([O-])CC[NH+]1CCN(CCO)C1CCCCCCC
inchi:
InChI=1/C15H30N2O3/c1-2-3-4-5-6-7-14-16(9-8-15(19)20)10-11-17(14)12-13-18/h14,18H,2-13H2,1H3,(H,19,20)


name: (3-decyloxy-2-hydroxypropyl)bis(2-hydroxyethyl)methylammonium methyl sulphate
cas: 70776-67-9
dtxsid: DTXSID70103496
formula: C18H39NO4
inchikey: WOLZNPWLXLPDSQ-UHFFFAOYSA-N
norman_susdat_id: NS00063319
pubchem_cid: NA
smiles: O=S(=O)([O-])OC.OCCC([NH3+])(CCO)CC(O)COCCCCCCCCCC
inchi:
InChI=1/C18H39NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-14-23-16-17(22)15-18(19,10-12-20)11-13-21;1-5-6(2,3)4/h17,20-22H,2-16,19H2,1H3;1H3,(H,2,3,4)


name: Bis(2-hydroxyethyl)[2-hydroxy-3-(octyloxy)propyl]methylammonium methyl sulphate
cas: 70776-69-1
dtxsid: DTXSID30103497
formula: C16H36NO4
inchikey: CJULUAHYEXWWCU-UHFFFAOYSA-M
norman_susdat_id: NS00063320
pubchem_cid: 14415757
smiles: O=S(=O)([O-])OC.OCC[N+](C)(CCO)CC(O)COCCCCCCCC
inchi:
InChI=1/C16H36NO4.CH4O4S/c1-3-4-5-6-7-8-13-21-15-16(20)14-17(2,9-11-18)10-12-19;1-5-6(2,3)4/h16,18-20H,3-15H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


name: (3-decyloxy-2-hydroxypropyl)ethylbis(2-hydroxyethyl)ammonium ethyl sulphate
cas: 70776-71-5
dtxsid: DTXSID60887253
formula: C19H42NO4
inchikey: CFOGILBDCOLWPT-UHFFFAOYSA-M
norman_susdat_id: NS00064560
pubchem_cid: 172613
smiles: O=S(=O)([O-])OCC.OCC[N+](CC)(CCO)CC(O)COCCCCCCCCCC
inchi:
InChI=1/C19H42NO4.C2H6O4S/c1-3-5-6-7-8-9-10-11-16-24-18-19(23)17-20(4-2,12-14-21)13-15-22;1-2-6-7(3,4)5/h19,21-23H,3-18H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Ethylbis(2-hydroxyethyl)[2-hydroxy-3-(octyloxy)propyl]ammonium ethyl sulphate
cas: 70776-73-7
dtxsid: DTXSID20887254
formula: C17H38NO4
inchikey: OHGYZOGVOWTJCX-UHFFFAOYSA-M
norman_susdat_id: NS00064561
pubchem_cid: 172615
smiles: O=S(=O)([O-])OCC.OCC[N+](CC)(CCO)CC(O)COCCCCCCCC
inchi:
InChI=1/C17H38NO4.C2H6O4S/c1-3-5-6-7-8-9-14-22-16-17(21)15-18(4-2,10-12-19)11-13-20;1-2-6-7(3,4)5/h17,19-21H,3-16H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


cas: 70776-76-0
dtxsid: DTXSID50882974
norman_susdat_id: NS00110661
name:
Acetic acid, [1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]difluoro-, polymer with tetrafluoroethene


name: 4-(1,1-Di-2-butenyl-3-pentenyl)pyridine
cas: 70776-89-5
chemspiderid: 4942500
dtxsid: DTXSID8072162
formula: C18H25N1
inchikey: IZDCTQDGYOSQRY-UHFFFAOYSA-N
norman_susdat_id: NS00037112
pubchem_cid: 116886
smiles: C/C=C/CC(C/C=C/C)(C/C=C/C)c1ccncc1
inchi:
InChI=1S/C18H25N/c1-4-7-12-18(13-8-5-2,14-9-6-3)17-10-15-19-16-11-17/h4-11,15-16H,12-14H2,1-3H3/b7-4+,8-5+,9-6+


name: Methyl 3a-[(ethoxycarbonyl)oxy]-12a-hydroxy-5ß-cholan-24-oate
cas: 70779-09-8
dtxsid: DTXSID00991045
formula: C28H46O6
inchikey: YOFASZAQCBTMOW-YCHOJBIXSA-N
norman_susdat_id: NS00063094
pubchem_cid: 3047759
smiles: O=C(OCC)OC1CCC2(C)C(CCC3C4CCC(C(C)CCC(=O)OC)C4(C)C(O)CC32)C1
inchi:
InChI=1/C28H46O6/c1-6-33-26(31)34-19-13-14-27(3)18(15-19)8-9-20-22-11-10-21(17(2)7-12-25(30)32-5)28(22,4)24(29)16-23(20)27/h17-24,29H,6-16H2,1-5H3


name: 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy-
cas: 70780-21-1
chemspiderid: 171837
dtxsid: DTXSID10221027
formula: C19H16O6
inchikey: JHBFGEOIOJLSIR-UHFFFAOYSA-N
norman_susdat_id: NS00037113
pubchem_cid: 198533
smiles: COc1c(OC)cc(cc1)C(=O)CC1(O)C(=O)c2c(cccc2)C1=O
inchi:
InChI=1S/C19H16O6/c1-24-15-8-7-11(9-16(15)25-2)14(20)10-19(23)17(21)12-5-3-4-6-13(12)18(19)22/h3-9,23H,10H2,1-2H3


cas: 70788-53-3
dtxsid: DTXSID10882834
norman_susdat_id: NS00109270
name:
Propanoic acid, 3-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro-, potassium salt, polymer with tetrafluoroethene


name: Cefpiramide acid
cas: 70797-11-4
chebiid: CHEBI:59213
chemspiderid: 552192
dtxsid: DTXSID6046630
formula: C25H24N8O7S2
inchikey: PWAUCHMQEXVFJR-PMAPCBKXSA-N
norman_susdat_id: NS00011570
pubchem_cid: 636405
smiles: Cc1cc(c(cn1)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSc5nnnn5C)C(=O)O)O
inchi:
InChI=1S/C25H24N8O7S2/c1-11-7-16(35)15(8-26-11)20(36)27-17(12-3-5-14(34)6-4-12)21(37)28-18-22(38)33-19(24(39)40)13(9-41-23(18)33)10-42-25-29-30-31-32(25)2/h3-8,17-18,23,34H,9-10H2,1-2H3,(H,26,35)(H,27,36)(H,28,37)(H,39,40)/t17-,18-,23-/m1/s1


name: 23-Hydroxy-3,6,9,12,15,18,21-heptaoxatricos-1-yl octadecanoate
cas: 70802-40-3
chemspiderid: 137043
dtxsid: DTXSID50221066
formula: C34H68O10
inchikey: MOKBFXZQXUZAMV-UHFFFAOYSA-N
norman_susdat_id: NS00013958
pubchem_cid: 155574
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C34H68O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-34(36)44-33-32-43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-35/h35H,2-33H2,1H3


cas: 70815-01-9
formula: C23H48NO2
norman_susdat_id: NS00101811
name:
Poly(oxy-1,2-ethanediyl), .alpha.-(1-oxohexadecyl)-.omega.-[2-(diethylmethylammonio)ethoxy]-, methyl sulfate


cas: 70815-05-3
dtxsid: DTXSID80882881
norman_susdat_id: NS00111676
name:
Ethanesulfinic acid, 2-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-, polymer with tetrafluoroethene


cas: 70815-09-7
dtxsid: DTXSID40890088
formula: C17H14Cl2N4O7S2
inchikey: ORTVHVYZJDCSHF-UHFFFAOYSA-L
norman_susdat_id: NS00064563
pubchem_cid: 172631
smiles: [Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC=C(C=C2C)S(=O)(=O)[O-])C3=CC(Cl)=C(C=C3Cl)S(=O)(=O)[O-]
name:
Disodium 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulphonato-o-tolyl)azo]-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C17H14Cl2N4O7S2.2Na/c1-8-5-10(31(25,26)27)3-4-13(8)20-21-16-9(2)22-23(17(16)24)14-6-12(19)15(7-11(14)18)32(28,29)30;;/h3-7,16H,1-2H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


name: (Z)-N-(2-hydroxyethyl)-N-[2-[[2-[(2-hydroxyethyl)amino]ethyl]amino]ethyl]-9-octadecenamide
cas: 70815-11-1
formula: C26H53N3O3
inchikey: WXOWRDPCPRCZJX-KTKRTIGZSA-N
norman_susdat_id: NS00063540
pubchem_cid: 20839020
smiles: O=C(N(CCO)CCNCCNCCO)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C26H53N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(32)29(23-25-31)22-20-27-18-19-28-21-24-30/h9-10,27-28,30-31H,2-8,11-25H2,1H3


cas: 70815-25-7
formula: C15H17N4O6P.2K
inchikey: PEFXPENJDNZXLS-UHFFFAOYSA-L
norman_susdat_id: NS00092235
smiles: [K+].[K+].O=C2/C(=C(/C)\C(\N=Nc1cccc(c1)P([O-])([O-])=O)=C(\O)N2CC)C(N)=O
name:
Dipotassium 3-[3-carbamoyl-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-pyridylazo]phenylphosphonate

inchi:
InChI=1/C15H17N4O6P.2K/c1-3-19-14(21)11(13(16)20)8(2)12(15(19)22)18-17-9-5-4-6-10(7-9)26(23,24)25;;/h4-7,22H,3H2,1-2H3,(H2,16,20)(H2,23,24,25);;/q;2*+1/p-2


cas: 7082-34-0
formula: C35H52O14
inchikey: KQBVSIZPUWODNU-UHFFFAOYSA-N
norman_susdat_id: NS00043533
pubchem_cid: 3587049
smiles: O=CC12CCC(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3)CC2(O)CCC5C1CCC6(C)C(C7=CC(=O)OC7)CCC56O
name:
(3ß,5ß)-3-[(2,6-dideoxy-4-O-ß-D-glucopyranosyl-ß-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

inchi:
InChI=1/C35H52O14/c1-17-30(49-31-29(42)28(41)27(40)24(14-36)48-31)23(38)12-26(46-17)47-19-3-8-33(16-37)21-4-7-32(2)20(18-11-25(39)45-15-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,16-17,19-24,26-31,36,38,40-44H,3-10,12-15H2,1-2H3


name: (3R,10S)-Heptadeca-1,8-diene-4,6-diyne-3,10-diol
cas: 708257-91-4
chemspiderid: 33823818
dtxsid: DTXSID30825627
formula: C17H24O2
inchikey: DSVMWGREWREVQQ-SJORKVTESA-N
norman_susdat_id: NS00094691
pubchem_cid: 95790147
smiles: CCCCCCC[C@H](O)C=CC#CC#C[C@H](O)C=C
inchi:
InChI=1S/C17H24O2/c1-3-5-6-7-11-14-17(19)15-12-9-8-10-13-16(18)4-2/h4,12,15-19H,2-3,5-7,11,14H2,1H3/t16-,17+/m1/s1


name: L-Cichoric acid
cas: 70831-56-0
chebiid: CHEBI:3594
chemspiderid: 4580691
dtxsid: DTXSID0033332
formula: C22H18O12
inchikey: YDDGKXBLOXEEMN-IABMMNSOSA-N
norman_susdat_id: NS00037116
pubchem_cid: 5281764
smiles: OC(=O)[C@H](OC(=O)/C=C/c1cc(O)c(O)cc1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)cc1)C(=O)O
inchi:
InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1


cas: 70833-38-4
dtxsid: DTXSID30890097
formula: C28H24FN7O8S2
inchikey: RVHUTHFCUQUEQH-UHFFFAOYSA-L
norman_susdat_id: NS00063574
pubchem_cid: 166147
name:
Disodium 7-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C28H24FN7O8S2.2Na/c1-3-36(18-7-5-4-6-8-18)28-32-26(29)31-27(33-28)30-17-9-11-20-16(13-17)14-23(46(41,42)43)24(25(20)37)35-34-21-12-10-19(44-2)15-22(21)45(38,39)40;;/h4-15,37H,3H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,30,31,32,33);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(OC)=CC=C1N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC4=NC(F)=NC(=N4)N(C=5C=CC=CC5)CC


cas: 70833-47-5
formula: C21H17ClN4O4S
inchikey: KGIUUGAGFHWHRX-UHFFFAOYSA-N
norman_susdat_id: NS00091495
smiles: OS(=O)(=O)c3c4ccccc4ccc3N=NC2C(\C)=N/N(c1c(Cl)cccc1C)C2=O
name:
2-[[1-(6-chloro-o-tolyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonic acid

inchi:
InChI=1/C21H17ClN4O4S/c1-12-6-5-9-16(22)19(12)26-21(27)18(13(2)25-26)24-23-17-11-10-14-7-3-4-8-15(14)20(17)31(28,29)30/h3-11,18H,1-2H3,(H,28,29,30)


cas: 70833-54-4
dtxsid: DTXSID90890098
formula: C29H19ClFN7O13S4
inchikey: UTIYORRFGQOXTE-UHFFFAOYSA-J
norman_susdat_id: NS00063114
pubchem_cid: NA
name:
Tetrasodium 2-[[8-[[4-[(4-chlorophenyl)amino]-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C29H19ClFN7O13S4.4Na/c30-14-4-6-15(7-5-14)32-28-34-27(31)35-29(36-28)33-20-12-16(52(40,41)42)10-13-11-22(54(46,47)48)24(25(39)23(13)20)38-37-19-9-8-17-18(26(19)55(49,50)51)2-1-3-21(17)53(43,44)45;;;;/h1-12,39H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,32,33,34,35,36);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C4C(C=CC=C4S(=O)(=O)[O-])=C3S(=O)(=O)[O-])C(O)=C2C(=C1)NC=5N=C(F)N=C(N5)NC6=CC=C(Cl)C=C6)S(=O)(=O)[O-]


name: 2-(3,4-dihydroxyphenyl)-3-(ß-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium chloride
cas: 7084-24-4
formula: C21H21O11.Cl
inchikey: KTSQCNPAUTWUSO-UBNZBFALSA-M
norman_susdat_id: NS00080449
smiles: [Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H


name: Chlorothiazide sodium
cas: 7085-44-1
formula: C7H6ClN3O4S2.Na
inchikey: QWHNHXBPLJPMPV-UHFFFAOYSA-N
norman_susdat_id: NS00081317
smiles: [Na+].NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O
inchi:
InChI=1/C7H6ClN3O4S2.Na/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5;/h1-3H,(H,10,11)(H2,9,12,13);/q;+1


name: Lactic acid, compound with a-bicyclo[2.2.1]hept-5-en-2-yl-a-phenylpiperidin-1-propanol (1:1)
cas: 7085-45-2
formula: C21H29NO.C3H6O3
inchikey: GLPUBCPQWZZFNJ-UHFFFAOYSA-N
norman_susdat_id: NS00081034
smiles: CC(O)C(=O)O.OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4
inchi:
InChI=1/C21H29NO.C3H6O3/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17;1-2(4)3(5)6/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2;2,4H,1H3,(H,5,6)


name: troxerutin
cas: 7085-55-4
chemspiderid: 4589027
dtxsid: DTXSID4045929
formula: C33H42O19
inchikey: IYVFNTXFRYQLRP-UHFFFAOYSA-N
norman_susdat_id: NS00001681
pubchem_cid: 5360237
inchi:
InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3

smiles:
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O


name: Trichlorotriacontylsilane
cas: 70851-48-8
dtxsid: DTXSID90887746
formula: C30H61Cl3Si
inchikey: UADSXMQUUGJFAW-UHFFFAOYSA-N
norman_susdat_id: NS00064569
pubchem_cid: 172643
smiles: Cl[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C30H61Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34(31,32)33/h2-30H2,1H3


name: Dimethoxymethyloctadecylsilane
cas: 70851-50-2
dtxsid: DTXSID20991128
formula: C21H46O2Si
inchikey: ISDNZSPPXJMDID-UHFFFAOYSA-N
norman_susdat_id: NS00064570
pubchem_cid: NA
smiles: O(C)C(OC)[SiH2]CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C21H46O2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(22-2)23-3/h21H,4-20,24H2,1-3H3


name: Chlorodimethyltriacontylsilane
cas: 70851-52-4
dtxsid: DTXSID2072176
formula: C32H67ClSi
inchikey: QAADEYIJKBTPIG-UHFFFAOYSA-N
norman_susdat_id: NS00063115
pubchem_cid: 116908
smiles: Cl[Si](C)(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C32H67ClSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34(2,3)33/h4-32H2,1-3H3


name: 3-[[[2-[[3-(trimethoxysilyl)propyl]amino]ethyl]amino]carbonyl]benzene-1-sulphonyl azide
cas: 70851-53-5
dtxsid: DTXSID50887747
formula: C15H26N5O6SSi
inchikey: KKFOMYQDJDFTMY-UHFFFAOYSA-N
norman_susdat_id: NS00063685
pubchem_cid: 20836542
smiles: [N-]=[N+]=NS(=O)(=O)C=1C=CC=C(C1)C(=O)NCCNCCC[Si](OC)(OC)OC
inchi:
InChI=1/C15H25N5O6SSi/c1-24-28(25-2,26-3)11-5-8-17-9-10-18-15(21)13-6-4-7-14(12-13)27(22,23)20-19-16/h4,6-7,12,17H,5,8-11H2,1-3H3,(H,18,21)


name: 9-[2-(trimethoxysilyl)ethyl]-9H-carbazole
cas: 70851-54-6
dtxsid: DTXSID7072177
formula: C17H21NO3Si
inchikey: ILBVOOPZRLHLEP-UHFFFAOYSA-N
norman_susdat_id: NS00063370
pubchem_cid: 116911
smiles: O(C)[Si](OC)(OC)CCN1C=2C=CC=CC2C=3C=CC=CC31
inchi:
InChI=1/C17H21NO3Si/c1-19-22(20-2,21-3)13-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11H,12-13H2,1-3H3


name: 6,10,14-Hexadecatrien-3-ol, 3,7,11,15-tetramethyl-
cas: 70851-60-4
chemspiderid: 4942489
dtxsid: DTXSID80867956
formula: C20H36O1
inchikey: SAHYANTVORDRQI-HQSZAHFGSA-N
norman_susdat_id: NS00012530
pubchem_cid: 6437979
smiles: CCC(C)(O)CC/C=C(C)/CC/C=C(C)/CCC=C(C)C
inchi:
InChI=1S/C20H36O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h11,13,15,21H,7-10,12,14,16H2,1-6H3/b18-13+,19-15+


name: Bis(2-methyloctyl) phthalate
cas: 70857-56-6
dtxsid: DTXSID70991133
formula: C26H42O4
inchikey: GXRDMEGSBKPONF-UHFFFAOYSA-N
norman_susdat_id: NS00064572
pubchem_cid: 3018042
smiles: O=C(OCC(C)CCCCCC)C=1C=CC=CC1C(=O)OCC(C)CCCCCC
inchi:
InChI=1/C26H42O4/c1-5-7-9-11-15-21(3)19-29-25(27)23-17-13-14-18-24(23)26(28)30-20-22(4)16-12-10-8-6-2/h13-14,17-18,21-22H,5-12,15-16,19-20H2,1-4H3


name: (Z)-N-methyl-9-octadecenamide
cas: 70858-46-7
formula: C19H37NO
inchikey: NJNFUPWMCKHLRE-KHPPLWFESA-N
norman_susdat_id: NS00063686
pubchem_cid: 20836181
smiles: O=C(NC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20-2/h10-11H,3-9,12-18H2,1-2H3,(H,20,21)


name: 1-(5-amino-2-methyl-3-sulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid
cas: 70862-30-5
dtxsid: DTXSID70991138
formula: C11H11N3O6S
inchikey: IRJVHHLEYCHGJH-UHFFFAOYSA-N
norman_susdat_id: NS00063687
pubchem_cid: 3018044
smiles: O=C(O)C1=NN(C(=O)C1)C2=CC(N)=CC(=C2C)S(=O)(=O)O
inchi:
InChI=1/C11H11N3O6S/c1-5-8(2-6(12)3-9(5)21(18,19)20)14-10(15)4-7(13-14)11(16)17/h2-3H,4,12H2,1H3,(H,16,17)(H,18,19,20)


name: 1,3-Didecyl-2-methylimidazolium chloride
cas: 70862-65-6
chemspiderid: 2056268
dtxsid: DTXSID1049352
formula: C24H47N2
inchikey: CCEYVAPCYYFRMO-UHFFFAOYSA-N
norman_susdat_id: NS00006308
pubchem_cid: 2775941
smiles: CCCCCCCCCCn1cc[n+](CCCCCCCCCC)c1C
inchi:
InChI=1S/C24H47N2/c1-4-6-8-10-12-14-16-18-20-25-22-23-26(24(25)3)21-19-17-15-13-11-9-7-5-2/h22-23H,4-21H2,1-3H3/q+1


name: Sodium 4-[[4-[(4-hydroxy-2-methylphenyl)azo]phenyl]amino]-3-nitrobenzenesulphonate
cas: 70865-20-2
formula: C19H16N4O6S.Na
inchikey: JXRBVOFBCVPZOV-UHFFFAOYSA-M
norman_susdat_id: NS00092239
smiles: [Na+].Oc3cc(C)c(N=Nc2ccc(Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)cc2)cc3
inchi:
InChI=1/C19H16N4O6S.Na/c1-12-10-15(24)6-8-17(12)22-21-14-4-2-13(3-5-14)20-18-9-7-16(30(27,28)29)11-19(18)23(25)26;/h2-11,20,24H,1H3,(H,27,28,29);/q;+1/p-1


name: 1-chloro-3-[ethyl[3-methyl-4-[(5-nitrothiazol-2-yl)azo]phenyl]amino]propan-2-ol
cas: 70865-21-3
dtxsid: DTXSID40887751
formula: C15H19ClN5O3S
inchikey: DFLFULOEUOENOW-UHFFFAOYSA-N
norman_susdat_id: NS00063374
pubchem_cid: 116713
smiles: O=[N+]([O-])C=1SC(N=NC2=CC=C(C=C2C)N(CC)CC(O)CCl)=NC1
inchi:
InChI=1/C15H18ClN5O3S/c1-3-20(9-12(22)7-16)11-4-5-13(10(2)6-11)18-19-15-17-8-14(25-15)21(23)24/h4-6,8,12,22H,3,7,9H2,1-2H3


cas: 70865-25-7
dtxsid: DTXSID00890100
formula: C25H18ClN9O12S3
inchikey: LRSKGDUMNPFUKU-UHFFFAOYSA-K
norman_susdat_id: NS00063692
pubchem_cid: 172646
name:
Trisodium hydrogen 4-[[5-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C25H18ClN9O12S3.3Na.H2/c26-23-29-24(27-12-1-6-15(7-2-12)48(39,40)41)31-25(30-23)28-13-3-10-18(50(45,46)47)17(11-13)32-33-19-20(22(37)38)34-35(21(19)36)14-4-8-16(9-5-14)49(42,43)44;;;;/h1-11,19H,(H,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,27,28,29,30,31);;;;1H/q;4*+1/p-4

smiles:
[H+].[Na+].[Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC=3N=C(Cl)N=C(N3)NC4=CC=C(C=C4)S(=O)(=O)[O-])C5=CC=C(C=C5)S(=O)(=O)[O-]


cas: 70865-26-8
formula: C27H22ClN7O11S3.3Na
inchikey: MAFFMZVKVBQLTR-UHFFFAOYSA-K
norman_susdat_id: NS00092240
name:
Trisodium 7-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C27H22ClN7O11S3.3Na/c1-35(27-31-25(28)30-26(32-27)29-15-4-3-5-18(12-15)47(37,38)39)16-6-8-19-14(10-16)11-22(49(43,44)45)23(24(19)36)34-33-20-9-7-17(46-2)13-21(20)48(40,41)42;;;/h3-13,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].Clc2nc(Nc1cccc(c1)S([O-])(=O)=O)nc(n2)N(C)c4cc5cc(c(N=Nc3ccc(OC)cc3S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O


cas: 70865-27-9
formula: C21H16Cl2N6O8S2.2Na
inchikey: QDTRFBUDYHJCDV-UHFFFAOYSA-L
norman_susdat_id: NS00091642
smiles: [Na+].[Na+].CN(c1nc(Cl)nc(Cl)n1)c3cc4c(O)c(N=Nc2ccc(OC)cc2S([O-])(=O)=O)c(cc4cc3)S([O-])(=O)=O
name:
Disodium 6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C21H16Cl2N6O8S2.2Na/c1-29(21-25-19(22)24-20(23)26-21)11-4-3-10-7-16(39(34,35)36)17(18(30)13(10)8-11)28-27-14-6-5-12(37-2)9-15(14)38(31,32)33;;/h3-9,30H,1-2H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2


cas: 70865-28-0
formula: C19H12Cl2N8O9S2.2Na
inchikey: XXKGFGPRHOVYBA-UHFFFAOYSA-L
norman_susdat_id: NS00092241
name:
Disodium hydrogen 4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C19H12Cl2N8O9S2.2Na.H2/c20-17-23-18(21)25-19(24-17)22-8-1-6-11(12(7-8)40(36,37)38)26-27-13-14(16(31)32)28-29(15(13)30)9-2-4-10(5-3-9)39(33,34)35;;;/h1-7,13H,(H,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25);;;1H/q;3*+1/p-3

smiles:
[H+].[Na+].[Na+].Clc1nc(nc(Cl)n1)Nc4ccc(N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c(c4)S([O-])(=O)=O


cas: 70865-29-1
formula: C18H16Cl2N8O9S2.2Na
inchikey: KTPJWZKVPDUBMJ-UHFFFAOYSA-L
norman_susdat_id: NS00091643
name:
Disodium 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]benzene-1,3-disulphonate

inchi:
InChI=1/C18H16Cl2N8O9S2.2Na/c1-3-28-14(30)11(13(21)29)6(2)12(15(28)31)27-26-8-4-7(22-18-24-16(19)23-17(20)25-18)9(38(32,33)34)5-10(8)39(35,36)37;;/h4-5,31H,3H2,1-2H3,(H2,21,29)(H,32,33,34)(H,35,36,37)(H,22,23,24,25);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C3/C(=C(/C)\C(\N=Nc2cc(Nc1nc(Cl)nc(Cl)n1)c(cc2S([O-])(=O)=O)S([O-])(=O)=O)=C(\O)N3CC)C(N)=O


name: Sodium 6-amino-5-[[2-[(ethylphenylamino)sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate
cas: 70865-30-4
formula: C24H22N4O6S2.Na
inchikey: CKTWUZVWKLISAA-UHFFFAOYSA-M
norman_susdat_id: NS00092242
smiles: [Na+].CCN(c1ccccc1)S(=O)(=O)c4ccccc4N=Nc2c(N)ccc3cc(cc(O)c23)S([O-])(=O)=O
inchi:
InChI=1/C24H22N4O6S2.Na/c1-2-28(17-8-4-3-5-9-17)35(30,31)22-11-7-6-10-20(22)26-27-24-19(25)13-12-16-14-18(36(32,33)34)15-21(29)23(16)24;/h3-15,29H,2,25H2,1H3,(H,32,33,34);/q;+1/p-1


cas: 70865-31-5
formula: C25H17Cl2N9O16S5.5Na
inchikey: YWHQOJGTWCMJAY-UHFFFAOYSA-I
norman_susdat_id: NS00091510
name:
Pentasodium 4-amino-6-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-3-[(2,5-disulphonatophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C25H17Cl2N9O16S5.5Na/c26-23-30-24(27)32-25(31-23)29-10-1-3-14(54(41,42)43)12(7-10)33-36-21-17(57(50,51)52)6-9-5-16(56(47,48)49)20(19(28)18(9)22(21)37)35-34-13-8-11(53(38,39)40)2-4-15(13)55(44,45)46;;;;;/h1-8,37H,28H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,29,30,31,32);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(Cl)n5


name: Benzenesulfonamide, 4-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-2,5-dichloro-N-(2-chloroethyl)-
cas: 70865-32-6
chemspiderid: 100212
dtxsid: DTXSID6072180
formula: C18H21Cl3N4O4S1
inchikey: KYDCGDFUABSMKI-UHFFFAOYSA-N
norman_susdat_id: NS00037120
pubchem_cid: 116918
smiles: OCCN(CCO)c1ccc(cc1)N=Nc1cc(Cl)c(cc1Cl)S(=O)(=O)NCCCl
inchi:
InChI=1S/C18H21Cl3N4O4S/c19-5-6-22-30(28,29)18-12-15(20)17(11-16(18)21)24-23-13-1-3-14(4-2-13)25(7-9-26)8-10-27/h1-4,11-12,22,26-27H,5-10H2/b24-23+


name: Benzenesulfonamide, 3-chloro-N-(2-chloroethyl)-4-[[4-[(2-hydroxyethyl)amino]-1-naphthalenyl]azo]-
cas: 70865-33-7
chemspiderid: 104498
dtxsid: DTXSID1072181
formula: C20H20Cl2N4O3S1
inchikey: ZFEWUEDSAGGNJB-UHFFFAOYSA-N
norman_susdat_id: NS00037121
pubchem_cid: 116919
smiles: OCCNc1c2ccccc2c(cc1)N=Nc1c(Cl)cc(cc1)S(=O)(=O)NCCCl
inchi:
InChI=1S/C20H20Cl2N4O3S/c21-9-10-24-30(28,29)14-5-6-20(17(22)13-14)26-25-19-8-7-18(23-11-12-27)15-3-1-2-4-16(15)19/h1-8,13,23-24,27H,9-12H2/b26-25+


cas: 70865-34-8
dtxsid: DTXSID60890106
formula: C29H18Cl2N8O11S3
inchikey: JHPUALQQSSQIKL-UHFFFAOYSA-K
norman_susdat_id: NS00062880
pubchem_cid: NA
name:
Trisodium 8-amino-5-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]phenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-1,7-disulphonate

inchi:
InChI=1/C29H18Cl2N8O11S3.3Na/c30-27-35-28(31)37-29(36-27)34-14-8-9-16(19(10-14)52(45,46)47)39-38-13-6-4-12(5-7-13)33-17-11-20(53(48,49)50)24(32)23-22(17)25(40)15-2-1-3-18(51(42,43)44)21(15)26(23)41;;;/h1-11,33H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,34,35,36,37);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1C2=CC=CC(=C2C(=O)C3=C(N)C(=CC(NC4=CC=C(N=NC5=CC=C(C=C5S(=O)(=O)[O-])NC=6N=C(Cl)N=C(Cl)N6)C=C4)=C13)S(=O)(=O)[O-])S(=O)(=O)[O-]


cas: 70865-35-9
dtxsid: DTXSID20890107
formula: C29H18Cl2N8O11S3
inchikey: AQTNLFYCGHFOBO-UHFFFAOYSA-K
norman_susdat_id: NS00063132
pubchem_cid: NA
name:
Trisodium 5-amino-8-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]phenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-1,6-disulphonate

inchi:
InChI=1/C29H18Cl2N8O11S3.3Na/c30-27-35-28(31)37-29(36-27)34-14-8-9-16(19(10-14)52(45,46)47)39-38-13-6-4-12(5-7-13)33-17-11-20(53(48,49)50)24(32)23-22(17)26(41)21-15(25(23)40)2-1-3-18(21)51(42,43)44;;;/h1-11,33H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,34,35,36,37);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1C2=CC=CC(=C2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC4=CC=C(N=NC5=CC=C(C=C5S(=O)(=O)[O-])NC=6N=C(Cl)N=C(Cl)N6)C=C4)S(=O)(=O)[O-]


cas: 70865-36-0
dtxsid: DTXSID80890108
formula: C23H14Cl2N6O11S3
inchikey: RTEWWLQBGDQTSG-UHFFFAOYSA-K
norman_susdat_id: NS00062881
pubchem_cid: 21125070
name:
Trisodium 8-amino-5-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracenedisulphonate

inchi:
InChI=1/C23H14Cl2N6O11S3.3Na/c24-21-29-22(25)31-23(30-21)28-11-4-1-8(7-14(11)44(37,38)39)27-12-5-3-10(26)16-17(12)18(32)9-2-6-13(43(34,35)36)20(45(40,41)42)15(9)19(16)33;;;/h1-7,27H,26H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,28,29,30,31);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1C2=CC=C(C(=C2C(=O)C=3C(N)=CC=C(NC4=CC=C(NC=5N=C(Cl)N=C(Cl)N5)C(=C4)S(=O)(=O)[O-])C13)S(=O)(=O)[O-])S(=O)(=O)[O-]


cas: 70865-39-3
formula: C26H18ClN7O15S4.4Na
inchikey: YWHVHTFUQOLOQS-UHFFFAOYSA-J
norman_susdat_id: NS00091634
name:
Tetrasodium hydrogen 2-[[4-chloro-6-[[8-hydroxy-3,6-disulphonato-7-[(2-sulphonatophenyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphonatobenzoate

inchi:
InChI=1/C26H18ClN7O15S4.4Na.H2/c27-24-30-25(28-15-6-5-12(50(38,39)40)9-14(15)23(36)37)32-26(31-24)29-17-10-13(51(41,42)43)7-11-8-19(53(47,48)49)21(22(35)20(11)17)34-33-16-3-1-2-4-18(16)52(44,45)46;;;;;/h1-10,35H,(H,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,28,29,30,31,32);;;;;1H/q;5*+1/p-5

smiles:
[H+].[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc4ccc(cc4C([O-])=O)S([O-])(=O)=O)n5


name: 2-[[4-(diethylamino)-o-tolyl]azo]-3,5-dinitrobenzonitrile
cas: 70873-13-1
formula: C18H20N6O4
inchikey: OJNGWWKPTBFTPN-UHFFFAOYSA-N
norman_susdat_id: NS00063386
pubchem_cid: 3018047
smiles: N#CC=1C=C(C=C(C1N=NC2=CC=C(C=C2C)N(CC)CC)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C18H18N6O4/c1-4-22(5-2)14-6-7-16(12(3)8-14)20-21-18-13(11-19)9-15(23(25)26)10-17(18)24(27)28/h6-10H,4-5H2,1-3H3


name: Alfentanil hydrochloride [USAN:USP]
cas: 70879-28-6
dtxsid: DTXSID50221107
formula: C21H35ClN6O4
inchikey: YYESXRRYBUERKF-UHFFFAOYSA-N
norman_susdat_id: NS00076323
smiles: O.Cl.CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)C2=CC=CC=C2)C1=O
inchi:
InChI=1S/C21H32N6O3.ClH.H2O/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26;;/h6-10H,4-5,11-17H2,1-3H3;1H;1H2


cas: 70879-34-4
norman_susdat_id: NS00113532
name:
1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid, cyclohexylamine-modified


cas: 70879-50-4
norman_susdat_id: NS00113101
name:
Poly(oxy-1,2-ethanediyl), ?-hydro-?-hydroxy-, polymer with 1,1-methylenebis[4-isocyanatocyclohexane], 1-decanol-blocked


name: 5-(dimethylamino)-N-[3-(triethoxysilyl)propyl]naphthalene-1-sulphonamide
cas: 70880-05-6
dtxsid: DTXSID1072183
formula: C21H34N2O5SSi
inchikey: AWGTUBDCLHXASR-UHFFFAOYSA-N
norman_susdat_id: NS00063404
pubchem_cid: 116921
smiles: O=S(=O)(NCCC[Si](OCC)(OCC)OCC)C1=CC=CC=2C1=CC=CC2N(C)C
inchi:
InChI=1/C21H34N2O5SSi/c1-6-26-30(27-7-2,28-8-3)17-11-16-22-29(24,25)21-15-10-12-18-19(21)13-9-14-20(18)23(4)5/h9-10,12-15,22H,6-8,11,16-17H2,1-5H3


name: 2H-Perfluoro-2-decenoic acid
cas: 70887-84-2
chemspiderid: NA
dtxsid: DTXSID60825615
formula: C10H4F16O2
inchikey: CMTAMCYWGPMWNV-UHFFFAOYSA-N
norman_susdat_id: NS00011100
pubchem_cid: NA
smiles: FC(C(F)(C(F)(C(C(F)CC(O)=O)(F)F)F)F)(C(F)(F)C(F)(F)C(F)(F)F)F
inchi:
InChI=1S/C10H4F16O2/c11-2(1-3(27)28)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h2H,1H2,(H,27,28)


name: 12:2 Fluorotelomer carboxylic acid
cas: 70887-93-3
chemspiderid: 2272091
formula: C14H3F25O2
inchikey: DHZIKHSVLXMVQY-UHFFFAOYSA-N
norman_susdat_id: NS00011083
pubchem_cid: NA
smiles: OC(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)(C(F)(F)F)F)=O
inchi:
InChI=1S/C14H3F25O2/c15-3(16,1-2(40)41)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1H2,(H,40,41)


name: 10:2 Fluorotelomer unsaturated carboxylic acid
cas: 70887-94-4
chemspiderid: NA
formula: C12H4F20O2
inchikey: GRLFNRSOOKOYMF-UHFFFAOYSA-N
norman_susdat_id: NS00011101
pubchem_cid: NA
smiles: FC(C(F)(C(F)(C(C(F)CC(O)=O)(F)F)F)F)(C(F)(F)C(F)(F)C(F)(C(F)(C(F)(F)F)F)F)F
inchi:
InChI=1S/C12H4F20O2/c13-2(1-3(33)34)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)32/h2H,1H2,(H,33,34)


name: 12:2 Fluorotelomer unsaturated carboxylic acid
cas: 70887-95-5
chemspiderid: NA
formula: C14H4F24O2
inchikey: ZJROEBVHBRPCSG-UHFFFAOYSA-N
norman_susdat_id: NS00011102
pubchem_cid: NA
smiles: FC(C(F)(C(F)(C(C(F)CC(O)=O)(F)F)F)F)(C(F)(F)C(F)(F)C(F)(C(F)(C(F)(C(F)(C(F)(F)F)F)F)F)F)F
inchi:
InChI=1S/C14H4F24O2/c15-2(1-3(39)40)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)38/h2H,1H2,(H,39,40)


cas: 70892-42-1
dtxsid: DTXSID60882864
norman_susdat_id: NS00110985
name:
Poly(difluoromethylene), .alpha.-[2-[(2-carboxyethyl)thio]ethyl]-.omega.-fluoro-, reaction products with chromium chloride hydroxide (CrCl2(OH)) (1:2)


cas: 70892-85-2
formula: C20H13ClN2O8S2.2Na
inchikey: COAPEVCOWDOAJI-UHFFFAOYSA-L
norman_susdat_id: NS00092138
smiles: [Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Cl)c(c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-]
name:
Disodium 1-amino-4-[(4-chloro-3-sulphonatophenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C20H13ClN2O8S2.2Na/c21-12-6-5-9(7-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25;;/h1-8,23H,22H2,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2


name: cis-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-ylmethyl benzoate
cas: 70894-66-5
dtxsid: DTXSID20991183
formula: C21H18Cl2N2O4
inchikey: OYTQFYBMBBVDPN-UHFFFAOYSA-N
norman_susdat_id: NS00064401
pubchem_cid: 4288698
smiles: O=C(OCC1OC(OC1)(C2=CC=C(Cl)C=C2Cl)CN3C=NC=C3)C=4C=CC=CC4
inchi:
InChI=1/C21H18Cl2N2O4/c22-16-6-7-18(19(23)10-16)21(13-25-9-8-24-14-25)28-12-17(29-21)11-27-20(26)15-4-2-1-3-5-15/h1-10,14,17H,11-13H2


cas: 70900-28-6
dtxsid: DTXSID6072188
formula: C35H27N9O12S3
inchikey: VTXBLLCRTSBGBD-UHFFFAOYSA-K
norman_susdat_id: NS00064439
pubchem_cid: NA
name:
Trisodium 4-amino-3-[[4-[[[4-[(4-amino-2-hydroxyphenyl)azo]phenyl]amino]carbonyl]phenyl]azo]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C35H27N9O12S3.3Na/c36-20-3-14-26(27(45)17-20)42-39-23-8-6-21(7-9-23)38-35(47)18-1-4-22(5-2-18)40-43-32-28(58(51,52)53)15-19-16-29(59(54,55)56)33(34(46)30(19)31(32)37)44-41-24-10-12-25(13-11-24)57(48,49)50;;;/h1-17,45-46H,36-37H2,(H,38,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC2=CC=C(N)C=C2O)C=C1)C3=CC=C(N=NC=4C(N)=C5C(O)=C(N=NC6=CC=C(C=C6)S(=O)(=O)[O-])C(=CC5=CC4S(=O)(=O)[O-])S(=O)(=O)[O-])C=C3


name: Benzenesulfonic acid, 5-(acetylamino)-3-amino-2-methoxy-
cas: 70900-30-0
chemspiderid: 104506
dtxsid: DTXSID0072190
formula: C9H12N2O5S1
inchikey: IGLOCMMNXMYDKL-UHFFFAOYSA-N
norman_susdat_id: NS00037126
pubchem_cid: 116930
smiles: COc1c(cc(NC(=O)C)cc1N)S(=O)(=O)O
inchi:
InChI=1S/C9H12N2O5S/c1-5(12)11-6-3-7(10)9(16-2)8(4-6)17(13,14)15/h3-4H,10H2,1-2H3,(H,11,12)(H,13,14,15)


cas: 70900-34-4
dtxsid: DTXSID10893283
formula: C29H30F17N3O8S
inchikey: UJJKZLHNWMZYJC-UHFFFAOYSA-N
norman_susdat_id: NS00062910
pubchem_cid: 21149536
name:
2-[[[[5-[[[4-[[(heptadecafluorooctyl)sulphonyl]methylamino]butoxy]carbonyl]amino]-2-methylphenyl]amino]carbonyl]oxy]propyl methacrylate

inchi:
InChI=1/C29H30F17N3O8S/c1-14(2)19(50)56-13-16(4)57-21(52)48-18-12-17(9-8-15(18)3)47-20(51)55-11-7-6-10-49(5)58(53,54)29(45,46)27(40,41)25(36,37)23(32,33)22(30,31)24(34,35)26(38,39)28(42,43)44/h8-9,12,16H,1,6-7,10-11,13H2,2-5H3,(H,47,51)(H,48,52)

smiles:
O=C(OCCCCN(C)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)NC1=CC=C(C(=C1)NC(=O)OC(C)COC(=O)C(=C)C)C


