# cl_id

name: 6,10,10-trimethyl-2-methylenebicyclo[7.2.0]undec-5-en-3-yl acetate
cas: 84963-21-3
dtxsid: DTXSID701005272
formula: C17H26O2
inchikey: PCWBTUVJUUAINW-XFFZJAGNSA-N
norman_susdat_id: NS00060723
pubchem_cid: 56843055
smiles: O=C(OC1C(=C)C2CC(C)(C)C2CCC(=CC1)C)C
inchi:
InChI=1/C17H26O2/c1-11-6-8-15-14(10-17(15,4)5)12(2)16(9-7-11)19-13(3)18/h7,14-16H,2,6,8-10H2,1,3-5H3


name: 5-(diethoxymethyl)-2-methyl-8-(1-methylethyl)bicyclo[2.2.2]oct-2-ene
cas: 84963-24-6
dtxsid: DTXSID801005275
formula: C17H30O2
inchikey: SFEGCELBBKPZAG-UHFFFAOYSA-N
norman_susdat_id: NS00060726
pubchem_cid: 53427132
smiles: O(CC)C(OCC)C1CC2C(=CC1C(C2)C(C)C)C
inchi:
InChI=1/C17H30O2/c1-6-18-17(19-7-2)16-10-13-9-14(11(3)4)15(16)8-12(13)5/h8,11,13-17H,6-7,9-10H2,1-5H3


name: (R-(R*,R*))-2-(Benzyloxy)-5-(((1-methyl-3-phenylpropyl)(1-phenylethyl)amino)acetyl)benzamide
cas: 84963-37-1
chemspiderid: 34998992
dtxsid: DTXSID20234022
formula: C34H36N2O3
inchikey: PIJCMXDNWDLQTC-CLJLJLNGSA-N
norman_susdat_id: NS00038723
pubchem_cid: 14097325
smiles: CC(CCc1ccccc1)N(CC(=O)c1cc(C(=O)N)c(OCc2ccccc2)cc1)C(C)c1ccccc1
inchi:
InChI=1S/C34H36N2O3/c1-25(18-19-27-12-6-3-7-13-27)36(26(2)29-16-10-5-11-17-29)23-32(37)30-20-21-33(31(22-30)34(35)38)39-24-28-14-8-4-9-15-28/h3-17,20-22,25-26H,18-19,23-24H2,1-2H3,(H2,35,38)/t25-,26-/m0/s1


name: Sodium 2-acetamido-5-chlorobenzenesulphonate
cas: 84963-38-2
formula: C8H8ClNO4S.Na
inchikey: GFUFZPFKKASMNJ-UHFFFAOYSA-M
norman_susdat_id: NS00091135
smiles: [Na+].CC(=O)Nc1ccc(Cl)cc1S(=O)(=O)[O-]
inchi:
InChI=1/C8H8ClNO4S.Na/c1-5(11)10-7-3-2-6(9)4-8(7)15(12,13)14;/h2-4H,1H3,(H,10,11)(H,12,13,14);/q;+1/p-1


name: 2-(benzyloxy)-5-[1-hydroxy-2-[(a-methylbenzyl)(1-methyl-3-phenylpropyl)amino]ethyl]benzamide
cas: 84963-40-6
dtxsid: DTXSID401005285
formula: C34H38N2O3
inchikey: PVTYWJRBWJGPBU-UHFFFAOYSA-N
norman_susdat_id: NS00060784
pubchem_cid: 3020272
smiles: O=C(N)C1=CC(=CC=C1OCC=2C=CC=CC2)C(O)CN(C(C=3C=CC=CC3)C)C(C)CCC=4C=CC=CC4
inchi:
InChI=1/C34H38N2O3/c1-25(18-19-27-12-6-3-7-13-27)36(26(2)29-16-10-5-11-17-29)23-32(37)30-20-21-33(31(22-30)34(35)38)39-24-28-14-8-4-9-15-28/h3-17,20-22,25-26,32,37H,18-19,23-24H2,1-2H3,(H2,35,38)


name: 21-Hydroxypregn-4-ene-3,11,20-trione 21-pivalate
cas: 84963-41-7
chemspiderid: 21164491
dtxsid: DTXSID00234025
formula: C26H36O5
inchikey: MFNKUOBOAMIHNU-HEDGWYKQSA-N
norman_susdat_id: NS00038725
pubchem_cid: 56843164
smiles: CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC12C
inchi:
InChI=1S/C26H36O5/c1-24(2,3)23(30)31-14-21(29)19-9-8-18-17-7-6-15-12-16(27)10-11-25(15,4)22(17)20(28)13-26(18,19)5/h12,17-19,22H,6-11,13-14H2,1-5H3/t17-,18-,19-,22-,25+,26+/m0/s1


name: Trans-4'-ethyl-(1,1'-bicyclohexyl)-4-carboxylic acid
cas: 84976-67-0
chemspiderid: 9869100
dtxsid: DTXSID10470735
formula: C15H26O2
inchikey: OQIHEFMTIUJJET-UHFFFAOYSA-N
norman_susdat_id: NS00038726
pubchem_cid: 11694375
smiles: O=C(O)C1CCC(CC1)C2CCC(CC2)CC
inchi:
InChI=1S/C15H26O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h11-14H,2-10H2,1H3,(H,16,17)/t11-,12+,13-,14+


name: 3,6,9,12-Tetraoxahexadecan-1-ol, phosphate
cas: 84988-62-5
dtxsid: DTXSID30234033
formula: C12H27O8P
inchikey: KYWZAVZYKUXWSZ-UHFFFAOYSA-L
norman_susdat_id: NS00060786
pubchem_cid: 56842274
smiles: O=P([O-])([O-])OCCOCCOCCOCCOCCCC
inchi:
InChI=1/C12H27O8P/c1-2-3-4-16-5-6-17-7-8-18-9-10-19-11-12-20-21(13,14)15/h2-12H2,1H3,(H2,13,14,15)/p-2


cas: 84989-26-4
norman_susdat_id: NS00076062
name:
Chromate(3-), [3-[2-(4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl)diazenyl-.kappa.N1]-2-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)][3-(hydroxy-.kappa.O)-4-[2-[2-(hydroxy-.kappa.O)-1-naphthalenyl]diazenyl-.kappa.N1]-7-nitro-1-naphthal


name: Docosyl isononanoate
cas: 84989-44-6
chemspiderid: 57515910
dtxsid: DTXSID90234034
formula: C31H62O2
inchikey: RVLCVSUGRUWKSQ-UHFFFAOYSA-N
norman_susdat_id: NS00038727
pubchem_cid: 44152909
smiles: CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCC(C)C
inchi:
InChI=1S/C31H62O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-29-33-31(32)28-25-23-24-27-30(2)3/h30H,4-29H2,1-3H3


cas: 84989-52-6
dtxsid: DTXSID001005314
formula: C27H30N3O2
inchikey: WTZSNSYRHKDLCA-UHFFFAOYSA-L
norman_susdat_id: NS00059595
pubchem_cid: NA
smiles: [Cl-].[Cl-].[Cl-].[Zn+2].O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC4=CC=C(C=C4)C)C13)NCCC[N+](C)(C)C
name:
[3-[[9,10-dihydro-9,10-dioxo-4-(p-toluidino)-1-anthryl]amino]propyl]trimethylammonium chloride, compound with zinc chloride

inchi:
InChI=1/C27H29N3O2.3ClH.Zn/c1-18-10-12-19(13-11-18)29-23-15-14-22(28-16-7-17-30(2,3)4)24-25(23)27(32)21-9-6-5-8-20(21)26(24)31;;;;/h5-6,8-15H,7,16-17H2,1-4H3,(H-,28,29,31,32);3*1H;/q;;;;+2/p-2


cas: 84989-56-0
dtxsid: DTXSID70234037
formula: C13H19N6S
inchikey: BXTWGAGYWLZORL-UHFFFAOYSA-K
norman_susdat_id: NS00058177
pubchem_cid: 22957503
smiles: Cl[Zn-](Cl)Cl.N(=NC=1SC(=N[N+]1C)N(C)C)C2=CC=C(C=C2)N(C)C
name:
5-(dimethylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium trichlorozincate(1-)

inchi:
InChI=1/C13H19N6S.3ClH.Zn/c1-17(2)11-8-6-10(7-9-11)14-15-12-19(5)16-13(20-12)18(3)4;;;;/h6-9H,1-5H3;3*1H;/q+1;;;;+2/p-3/rC13H19N6S.Cl3Zn/c1-17(2)11-8-6-10(7-9-11)14-15-12-19(5)16-13(20-12)18(3)4;1-4(2)3/h6-9H,1-5H3;/q+1;-1


name: 2-Naphthalenol, 8-amino-5-(phenylazo)-
cas: 85-11-0
chemspiderid: 21159411
dtxsid: DTXSID7058919
formula: C16H13N3O1
inchikey: LILUGONJGLSBDO-UHFFFAOYSA-N
norman_susdat_id: NS00038779
pubchem_cid: NA
smiles: N=C1C=CC(=C2C=CC(=O)C=C12)NNc1ccccc1
inchi:
InChI=1S/C16H13N3O/c17-15-8-9-16(13-7-6-12(20)10-14(13)15)19-18-11-4-2-1-3-5-11/h1-10,17-19H/b17-15+


name: Benzophenone, 2,2'-dihydroxy-4-(octyloxy)-
cas: 85-24-5
chemspiderid: 6543
dtxsid: DTXSID60234046
formula: C21H26O4
inchikey: XRCGPZWJUXJKJF-UHFFFAOYSA-N
norman_susdat_id: NS00038873
pubchem_cid: 6801
smiles: CCCCCCCCOc1cc(O)c(cc1)C(=O)c1c(O)cccc1
inchi:
InChI=1S/C21H26O4/c1-2-3-4-5-6-9-14-25-16-12-13-18(20(23)15-16)21(24)17-10-7-8-11-19(17)22/h7-8,10-13,15,22-23H,2-6,9,14H2,1H3


name: 6-Thioguanosin
cas: 85-31-4
chemspiderid: 3159837
formula: C10H13N5O4S1
inchikey: OTDJAMXESTUWLO-UHFFFAOYSA-N
norman_susdat_id: NS00009916
pubchem_cid: 3938248
smiles: Nc1nc(=S)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1
inchi:
InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)


name: 5'-Guanylic acid
cas: 85-32-5
chebiid: CHEBI:17345
chemspiderid: 6545
dtxsid: DTXSID9044295
formula: C10H14N5O8P1
inchikey: RQFCJASXJCIDSX-UUOKFMHZSA-N
norman_susdat_id: NS00015253
pubchem_cid: 6804
smiles: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=O)N
inchi:
InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1


name: 4,4'-Butane-1,1-diylbis(2-tert-butyl-5-methylphenol)
cas: 85-60-9
chemspiderid: 6556
dtxsid: DTXSID8029602
formula: C26H38O2
inchikey: PFANXOISJYKQRP-UHFFFAOYSA-N
norman_susdat_id: NS00006126
pubchem_cid: 6815
smiles: CCCC(c1cc(c(O)cc1C)C(C)(C)C)c1cc(c(O)cc1C)C(C)(C)C
inchi:
InChI=1S/C26H38O2/c1-10-11-18(19-14-21(25(4,5)6)23(27)12-16(19)2)20-15-22(26(7,8)9)24(28)13-17(20)3/h12-15,18,27-28H,10-11H2,1-9H3


name: Coenzyme A
cas: 85-61-0
chemspiderid: 21238868
dtxsid: DTXSID9048302
formula: C21H36N7O16P3S1
inchikey: RGJOEKWQDUBAIZ-UHFFFAOYSA-N
norman_susdat_id: NS00013541
pubchem_cid: 317
smiles: CC(C)(CO[P](O)(=O)O[P](O)(=O)OCC1OC(C(O)C1O[P](O)(O)=O)n2cnc3c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCS
inchi:
InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)


name: Laudanine
cas: 85-64-3
chebiid: CHEBI:76106
formula: C20H25NO4
inchikey: MPYHGNAJOKCMAQ-UHFFFAOYSA-N
norman_susdat_id: NS00041023
pubchem_cid: 92732
smiles: OC1=CC(=CC=C1OC)CC2C3=CC(OC)=C(OC)C=C3CCN2C
inchi:
InChI=1/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3


name: 2-Naphthalenesulfonic acid, 8-amino-5-[(4-aminophenyl)azo]-
cas: 85-67-6
chemspiderid: 59935
dtxsid: DTXSID6058928
formula: C16H14N4O3S1
inchikey: PUFPLSIDSWPRQM-UHFFFAOYSA-N
norman_susdat_id: NS00039035
pubchem_cid: 66565
smiles: Nc1ccc(cc1)N=Nc1ccc(N)c2c1ccc(c2)S(=O)(=O)O
inchi:
InChI=1S/C16H14N4O3S/c17-10-1-3-11(4-2-10)19-20-16-8-7-15(18)14-9-12(24(21,22)23)5-6-13(14)16/h1-9H,17-18H2,(H,21,22,23)/b20-19+


name: Benzyl butyl phthalate
cas: 85-68-7
chebiid: CHEBI:34595
chemspiderid: 2257
dtxsid: DTXSID3020205
formula: C19H20O4
inchikey: IRIAEXORFWYRCZ-UHFFFAOYSA-N
norman_susdat_id: NS00009734
pubchem_cid: 2347
smiles: CCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1
eea_notation: CAS_85-68-7
inchi:
InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3


name: Butyl 2-ethylhexyl phthalate
cas: 85-69-8
chemspiderid: 6559
dtxsid: DTXSID8026519
formula: C20H30O4
inchikey: AVOLBYOSCILFLL-UHFFFAOYNA-N
norman_susdat_id: NS00039039
pubchem_cid: NA
smiles: CCCCOC(=O)c1c(cccc1)C(=O)OCC(CC)CCCC
inchi:
InChI=1S/C20H30O4/c1-4-7-11-16(6-3)15-24-20(22)18-13-10-9-12-17(18)19(21)23-14-8-5-2/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3/t16-/m0/s1


name: Butylphthalyl butylglycolate
cas: 85-70-1
chemspiderid: 6560
dtxsid: DTXSID7023938
formula: C18H24O6
inchikey: GOJCZVPJCKEBQV-UHFFFAOYSA-N
norman_susdat_id: NS00013416
pubchem_cid: 6819
smiles: CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC
inchi:
InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3


name: 3'-Methylphthalanilic acid
cas: 85-72-3
chemspiderid: 6562
dtxsid: DTXSID0041486
formula: C15H13N1O3
inchikey: AZPJXONNBLOZFE-UHFFFAOYSA-N
norman_susdat_id: NS00039056
pubchem_cid: 6821
smiles: Cc1cccc(NC(=O)c2c(cccc2)C(=O)O)c1
inchi:
InChI=1S/C15H13NO3/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)


name: Phthalylsulfathiazole
cas: 85-73-4
chebiid: CHEBI:9336
chemspiderid: 4641
dtxsid: DTXSID8023470
formula: C17H13N3O5S2
inchikey: PBMSWVPMRUJMPE-UHFFFAOYSA-N
norman_susdat_id: NS00007465
pubchem_cid: 4806
smiles: OC(=O)c1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
inchi:
InChI=1S/C17H13N3O5S2/c21-15(13-3-1-2-4-14(13)16(22)23)19-11-5-7-12(8-6-11)27(24,25)20-17-18-9-10-26-17/h1-10H,(H,18,20)(H,19,21)(H,22,23)


name: 1,7-Naphthalenedisulfonic acid, 4-amino-
cas: 85-74-5
chemspiderid: 59936
dtxsid: DTXSID1058929
formula: C10H9N1O6S2
inchikey: JSBQMQFABBMNSV-UHFFFAOYSA-N
norman_susdat_id: NS00039057
pubchem_cid: 66566
smiles: Nc1c2ccc(cc2c(cc1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C10H9NO6S2/c11-9-3-4-10(19(15,16)17)8-5-6(18(12,13)14)1-2-7(8)9/h1-5H,11H2,(H,12,13,14)(H,15,16,17)


name: 1,6-Naphthalenedisulfonic acid, 4-amino-
cas: 85-75-6
chemspiderid: 59937
dtxsid: DTXSID0058930
formula: C10H9N1O6S2
inchikey: QUFFRITXLMVPMV-UHFFFAOYSA-N
norman_susdat_id: NS00039061
pubchem_cid: 66567
smiles: Nc1ccc(c2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C10H9NO6S2/c11-9-3-4-10(19(15,16)17)7-2-1-6(5-8(7)9)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)


name: 5-Amino-8-[2-(4-aminophenyl)diazenyl]-2-naphthalenesulfonic acid
cas: 85-77-8
chemspiderid: 59938
dtxsid: DTXSID5058931
formula: C16H14N4O3S1
inchikey: ICZLQBIBMJQZRI-UHFFFAOYSA-N
norman_susdat_id: NS00039067
pubchem_cid: 66568
smiles: Nc1ccc(cc1)N=Nc1ccc(N)c2c1cc(cc2)S(=O)(=O)O
inchi:
InChI=1S/C16H14N4O3S/c17-10-1-3-11(4-2-10)19-20-16-8-7-15(18)13-6-5-12(9-14(13)16)24(21,22)23/h1-9H,17-18H2,(H,21,22,23)/b20-19+


name: Dibucaine
cas: 85-79-0
chebiid: CHEBI:247956
chemspiderid: 2917
dtxsid: DTXSID3045271
formula: C20H29N3O2
inchikey: PUFQVTATUTYEAL-UHFFFAOYSA-N
norman_susdat_id: NS00010344
pubchem_cid: 3025
smiles: CCCCOc1cc(c2ccccc2n1)C(=O)NCCN(CC)CC
inchi:
InChI=1S/C20H29N3O2/c1-4-7-14-25-19-15-17(16-10-8-9-11-18(16)22-19)20(24)21-12-13-23(5-2)6-3/h8-11,15H,4-7,12-14H2,1-3H3,(H,21,24)


name: Pro-Air
cas: 85-80-3
chebiid: CHEBI:91585
formula: C16H22N2O3
inchikey: FKNXQNWAXFXVNW-UHFFFAOYSA-N
norman_susdat_id: NS00096927
smiles: CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C
inchi:
InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)


name: C.I. Solvent Red 24
cas: 85-83-6
chemspiderid: 11252033
dtxsid: DTXSID8041743
formula: C24H20N4O1
inchikey: RCTGMCJBQGBLKT-PAMTUDGESA-N
norman_susdat_id: NS00019581
pubchem_cid: NA
smiles: Cc1ccccc1N=Nc1cc(C)c(N/N=C/2C(=O)C=Cc3ccccc23)cc1
inchi:
InChI=1S/C24H20N4O/c1-16-7-3-6-10-21(16)26-25-19-12-13-22(17(2)15-19)27-28-24-20-9-5-4-8-18(20)11-14-23(24)29/h3-15,27H,1-2H3/b26-25+,28-24-


name: C.I. Solvent Red 23
cas: 85-86-9
chemspiderid: 16736189
dtxsid: DTXSID3041742
formula: C22H16N4O1
inchikey: FHNINJWBTRXEBC-HXEHWPEMSA-N
norman_susdat_id: NS00000075
pubchem_cid: NA
smiles: c1ccc(cc1)/N=Nc2ccc(cc2)/N=N/c3c4ccccc4ccc3O
inchi:
InChI=1S/C22H16N4O/c27-21-15-10-16-6-4-5-9-20(16)22(21)26-25-19-13-11-18(12-14-19)24-23-17-7-2-1-3-8-17/h1-15,27H/b24-23-,26-25+


name: Cytidine 2'-monophosphate
cas: 85-94-9
chebiid: CHEBI:77766
dtxsid: DTXSID501005321
formula: C9H14N3O8P
inchikey: YQUAKORMLHPSLZ-XVFCMESISA-L
norman_susdat_id: NS00041287
pubchem_cid: 23421207
smiles: O=C1N=C(N)C=CN1C2OC(CO)C(O)C2OP(=O)([O-])[O-]
inchi:
InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2


name: 2,4-Bis(4-hydroxyphenyl)-3-ethylhexane
cas: 85-95-0
chebiid: CHEBI:135264
chemspiderid: 6566
formula: C20H26O2
inchikey: DUTFBSAKKUNBAL-UHFFFAOYSA-N
norman_susdat_id: NS00008953
pubchem_cid: 6827
smiles: CCC(C(C)c1ccc(O)cc1)C(CC)c1ccc(O)cc1
inchi:
InChI=1S/C20H26O2/c1-4-19(14(3)15-6-10-17(21)11-7-15)20(5-2)16-8-12-18(22)13-9-16/h6-14,19-22H,4-5H2,1-3H3


name: Altrenogest
cas: 850-52-2
chemspiderid: 8216634
dtxsid: DTXSID3048863
formula: C21H26O2
inchikey: VWAUPFMBXBWEQY-UHFFFAOYSA-N
norman_susdat_id: NS00014198
pubchem_cid: 13324
smiles: CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(O)CC=C
inchi:
InChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h3,8,11,13,18-19,23H,1,4-7,9-10,12H2,2H3


name: (5a)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan hydrochloride
cas: 850-57-7
formula: C19H21NO3.ClH
inchikey: KTFNLKDWNNDGLZ-JFYDKBSOSA-N
norman_susdat_id: NS00079592
smiles: Cl.COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45
inchi:
InChI=1/C19H21NO3.ClH/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20;/h4-7,13,18H,8-10H2,1-3H3;1H


name: 2-[2-(3,4-dihydro-6-methoxy-1(2H)-naphthylidene)ethyl]-2-ethylcyclopentane-1,3-dione
cas: 850-92-0
chemspiderid: 4956700
formula: C20H24O3
inchikey: OMXFYKCGCDGYNC-KAMYIIQDSA-N
norman_susdat_id: NS00001515
pubchem_cid: 70062
smiles: CCC1(C(=O)CCC1=O)C/C=C\2/CCCC3=C2C=CC(=C3)OC
inchi:
InChI=1S/C20H24O3/c1-3-20(18(1S/C20H24O3/c1-3-20(18(21)9-10-19(20)22)12-11-14-5-4-6-15-13-16(23-2)7-8-17(14)15/h7-8,11,13H,3-6,9-10,12H2,1-2H3/b14-11-


name: N-Ethyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propan-2-amine
cas: 850032-66-5
chemspiderid: 30798626
dtxsid: DTXSID70704548
formula: C16H24N2O1
inchikey: VVEQXDHSGNBFLZ-UHFFFAOYSA-N
norman_susdat_id: NS00018004
pubchem_cid: 53485366
smiles: CCN(CCC1=CNC2=C1C=C(C=C2)OC)C(C)C
inchi:
InChI=1S/C16H24N2O/c1-5-18(12(2)3)9-8-13-11-17-16-7-6-14(19-4)10-15(13)16/h6-7,10-12,17H,5,8-9H2,1-4H3


name: 2-(Isononylphenoxy)ethanol
cas: 85005-55-6
chemspiderid: 57506958
dtxsid: DTXSID90234054
formula: C17H28O2
inchikey: YWFWPJLGQZVOCG-UHFFFAOYSA-N
norman_susdat_id: NS00038730
pubchem_cid: 44147737
smiles: CC(C)CCCCCCc1ccccc1OCCO
inchi:
InChI=1S/C17H28O2/c1-15(2)9-5-3-4-6-10-16-11-7-8-12-17(16)19-14-13-18/h7-8,11-12,15,18H,3-6,9-10,13-14H2,1-2H3


name: 2-(Isooctylphenoxy)ethanol
cas: 85005-56-7
chemspiderid: 34997150
dtxsid: DTXSID50234055
formula: C16H26O2
inchikey: SMCOUSXSTLPDQA-UHFFFAOYSA-N
norman_susdat_id: NS00038731
pubchem_cid: 44153182
smiles: CC(C)CCCCCc1ccccc1OCCO
inchi:
InChI=1S/C16H26O2/c1-14(2)8-4-3-5-9-15-10-6-7-11-16(15)18-13-12-17/h6-7,10-11,14,17H,3-5,8-9,12-13H2,1-2H3


name: 4-[(2,4-dinitrophenyl)azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
cas: 85005-63-6
formula: C23H17N5O6
inchikey: IXVZAOJDLOSZQG-UHFFFAOYSA-N
norman_susdat_id: NS00058664
pubchem_cid: 3020277
smiles: O=C(NC=1C=CC=CC1)C2=CC=3C=CC=CC3C(N=NC4=CC=C(C=C4[N+](=O)[O-])[N+](=O)[O-])=C2O
inchi:
InChI=1/C23H15N5O6/c29-22-18(23(30)24-15-7-2-1-3-8-15)12-14-6-4-5-9-17(14)21(22)26-25-19-11-10-16(27(31)32)13-20(19)28(33)34/h1-13,29H,(H,24,30)


name: p-propylphenyl trans-p-(4-pentylcyclohexyl)benzoate
cas: 85005-66-9
dtxsid: DTXSID701005327
formula: C27H36O2
inchikey: VDXLRVQMTSSZRM-UHFFFAOYSA-N
norman_susdat_id: NS00058675
pubchem_cid: 3020280
smiles: O=C(OC1=CC=C(C=C1)CCC)C2=CC=C(C=C2)C3CCC(CCCCC)CC3
inchi:
InChI=1/C27H36O2/c1-3-5-6-8-22-9-13-23(14-10-22)24-15-17-25(18-16-24)27(28)29-26-19-11-21(7-4-2)12-20-26/h11-12,15-20,22-23H,3-10,13-14H2,1-2H3


name: 2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate
cas: 85005-71-6
formula: C22H26N5OS.C2H3O2
inchikey: KWKWNGFYXFQAEC-UHFFFAOYSA-M
norman_susdat_id: NS00089447
smiles: [O-]C(C)=O.N#CCCN(CCCC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC
inchi:
InChI=1/C22H26N5OS.C2H4O2/c1-4-5-14-27(15-6-13-23)18-9-7-17(8-10-18)24-25-22-26(2)20-12-11-19(28-3)16-21(20)29-22;1-2(3)4/h7-12,16H,4-6,14-15H2,1-3H3;1H3,(H,3,4)/q+1;/p-1


cas: 85005-72-7
formula: C33H32N3.C18H33O2
inchikey: TUSJGZDTSMYANI-SVMKZPJVSA-N
norman_susdat_id: NS00089914
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35
name:
[4-[[4-anilino-1-naphthyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium oleate

inchi:
InChI=1/C33H31N3.C18H34O2/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-23H,1-4H3;9-10H,2-8,11-17H2,1H3,(H,19,20)


name: 3-(ethylamino)-2-methyl-7-[(o-tolyl)amino]phenoxazin-5-ium chloride
cas: 85005-73-8
formula: C22H22N3O.Cl
inchikey: XWHIWRJRYDSPPU-UHFFFAOYSA-M
norman_susdat_id: NS00090849
smiles: [Cl-].CCNc1cc2[o+]c3cc(Nc4ccccc4C)ccc3nc2cc1C
inchi:
InChI=1/C22H22N3O.ClH/c1-4-23-19-13-22-20(11-15(19)3)25-18-10-9-16(12-21(18)26-22)24-17-8-6-5-7-14(17)2;/h5-13,23-24H,4H2,1-3H3;1H/q+1;/p-1


name: 3-(diethylamino)-7-[(o-tolyl)amino]phenoxazin-5-ium formate
cas: 85005-74-9
formula: C23H24N3O.CHO2
inchikey: BVTJWNOBGMOEEJ-UHFFFAOYSA-M
norman_susdat_id: NS00090412
smiles: CCN(CC)c1ccc2nc3ccc(Nc4ccccc4C)cc3[o+]c2c1.[O-]C=O
inchi:
InChI=1/C23H24N3O.CH2O2/c1-4-26(5-2)18-11-13-21-23(15-18)27-22-14-17(10-12-20(22)25-21)24-19-9-7-6-8-16(19)3;2-1-3/h6-15,24H,4-5H2,1-3H3;1H,(H,2,3)/q+1;/p-1


name: 1,3,3-trimethyl-2-[(methyl-2-naphthylhydrazono)methyl]-3H-indolium acetate
cas: 85005-76-1
formula: C23H24N3.C2H3O2
inchikey: VBQHWLNNYDYRAE-UHFFFAOYSA-M
norman_susdat_id: NS00090413
smiles: [O-]C(C)=O.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c2cc3ccccc3cc2
inchi:
InChI=1/C23H24N3.C2H4O2/c1-23(2)20-11-7-8-12-21(20)25(3)22(23)16-24-26(4)19-14-13-17-9-5-6-10-18(17)15-19;1-2(3)4/h5-16H,1-4H3;1H3,(H,3,4)/q+1;/p-1


cas: 85005-77-2
formula: C18H23ClN5O2
inchikey: BGMOISKTKYZBQP-UHFFFAOYSA-N
norman_susdat_id: NS00060184
pubchem_cid: 44152194
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CCN(C)C)C(Cl)=C1.O=S(=O)(O)N
name:
Sulphamic acid, compound with N-[4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-ethyl-N',N'-dimethylethylenediamine (1:1)

inchi:
InChI=1/C18H22ClN5O2.H3NO3S/c1-4-23(12-11-22(2)3)15-7-5-14(6-8-15)20-21-18-10-9-16(24(25)26)13-17(18)19;1-5(2,3)4/h5-10,13H,4,11-12H2,1-3H3;(H3,1,2,3,4)


cas: 85005-81-8
formula: C17H15ClN4O4S
inchikey: VIWIEMHNMBWSLX-UHFFFAOYSA-L
norman_susdat_id: NS00060686
pubchem_cid: 44146769
name:
Barium bis[5-chloro-2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-p-toluenesulphonate]

inchi:
InChI=1/2C17H15ClN4O4S.Ba/c2*1-10-8-14(15(9-13(10)18)27(24,25)26)19-20-16-11(2)21-22(17(16)23)12-6-4-3-5-7-12;/h2*3-9,16H,1-2H3,(H,24,25,26);/q;;+2/p-2

smiles:
[Ba+2].O=C1N(N=C(C)C1N=NC=2C=C(C(Cl)=CC2S(=O)(=O)[O-])C)C=3C=CC=CC3.O=C1N(N=C(C)C1N=NC=2C=C(C(Cl)=CC2S(=O)(=O)[O-])C)C=3C=CC=CC3


cas: 85005-82-9
formula: C34H30N8O8S2
inchikey: JBVRRKXINLZOTR-UHFFFAOYSA-L
norman_susdat_id: NS00060185
pubchem_cid: 44148164
name:
Calcium 4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-p-tolyl-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-2,2'-disulphonate

inchi:
InChI=1/C34H30N8O8S2.Ca/c1-19-5-11-25(12-6-19)41-33(43)31(21(3)39-41)37-35-23-9-15-27(29(17-23)51(45,46)47)28-16-10-24(18-30(28)52(48,49)50)36-38-32-22(4)40-42(34(32)44)26-13-7-20(2)8-14-26;/h5-18,31-32H,1-4H3,(H,45,46,47)(H,48,49,50);/q;+2/p-2

smiles:
[Ca+2].O=C1N(N=C(C)C1N=NC=2C=CC(C3=CC=C(N=NC4C(=O)N(N=C4C)C5=CC=C(C=C5)C)C=C3S(=O)(=O)[O-])=C(C2)S(=O)(=O)[O-])C6=CC=C(C=C6)C


name: Bis[3-(diethylamino)-7-[(m-tolyl)amino]phenoxazin-5-ium] tetrachlorozincate
cas: 85005-89-6
dtxsid: DTXSID90234059
formula: C23H24N3O
inchikey: KDIVFMROZVIZIF-UHFFFAOYSA-J
norman_susdat_id: NS00061856
pubchem_cid: NA
inchi:
InChI=1/2C23H24N3O.4ClH.Zn/c2*1-4-26(5-2)19-10-12-21-23(15-19)27-22-14-18(9-11-20(22)25-21)24-17-8-6-7-16(3)13-17;;;;;/h2*6-15,24H,4-5H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C23H24N3O.Cl4Zn/c2*1-4-26(5-2)19-10-12-21-23(15-19)27-22-14-18(9-11-20(22)25-21)24-17-8-6-7-16(3)13-17;1-5(2,3)4/h2*6-15,24H,4-5H2,1-3H3;/q2*+1;-2

smiles:
Cl[Zn-2](Cl)(Cl)Cl.N=1C2=CC=C(C=C2[O+]=C3C=C(C=CC13)N(CC)CC)NC4=CC=CC(=C4)C.N=1C2=CC=C(C=C2[O+]=C3C=C(C=CC13)N(CC)CC)NC4=CC=CC(=C4)C


name: Aluminium 3-hydroxynaphthalene-2,7-disulphonate (2:3)
cas: 85005-91-0
formula: C10H8O7S2.2/3Al
inchikey: IRBHFWLGXXWVBE-UHFFFAOYSA-H
norman_susdat_id: NS00090867
inchi:
InChI=1/3C10H8O7S2.2Al.6H/c3*11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;;;;;;;/h3*1-5,11H,(H,12,13,14)(H,15,16,17);;;;;;;;/q;;;2*+3;;;;;;/p-6/r3C10H8O7S2.2AlH3/c3*11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h3*1-5,11H,(H,12,13,14)(H,15,16,17);2*1H3/q;;;2*+3/p-6

smiles:
[AlH3].[AlH3].Oc1cc2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-].Oc3cc4ccc(cc4cc3S(=O)(=O)[O-])S(=O)(=O)[O-].Oc5cc6ccc(cc6cc5S(=O)(=O)[O-])S(=O)(=O)[O-]


name: Bis(3-chloro-2-hydroxypropyl)diethylammonium toluene-p-sulphonate
cas: 85005-94-3
dtxsid: DTXSID101005331
formula: C10H22Cl2NO2
inchikey: ASQPAZOHJBRJBC-UHFFFAOYSA-M
norman_susdat_id: NS00061857
pubchem_cid: 44151769
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.ClCC(O)C[N+](CC)(CC)CC(O)CCl
inchi:
InChI=1/C10H22Cl2NO2.C7H8O3S/c1-3-13(4-2,7-9(14)5-11)8-10(15)6-12;1-6-2-4-7(5-3-6)11(8,9)10/h9-10,14-15H,3-8H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: O,O-diisobutyl hydrogen dithiophosphate, compound with 2-aminoethanol (1:1)
cas: 85005-96-5
formula: C8H19O2PS2.C2H7NO
inchikey: SCSJVXGKYSGDNZ-UHFFFAOYSA-N
norman_susdat_id: NS00090207
smiles: CC(C)COP(=S)(S)OCC(C)C.NCCO
inchi:
InChI=1/C8H19O2PS2.C2H7NO/c1-7(2)5-9-11(12,13)10-6-8(3)4;3-1-2-4/h7-8H,5-6H2,1-4H3,(H,12,13);4H,1-3H2


cas: 85005-98-7
formula: C20H20N4O13S3.2Na
inchikey: AHNAALUPKGWIBU-UHFFFAOYSA-L
norman_susdat_id: NS00090480
name:
Disodium hydrogen 4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C20H20N4O13S3.2Na.H2/c1-11-9-14(15(36-2)10-16(11)38(28,29)8-7-37-40(33,34)35)21-22-17-18(20(26)27)23-24(19(17)25)12-3-5-13(6-4-12)39(30,31)32;;;/h3-6,9-10,17H,7-8H2,1-2H3,(H,26,27)(H,30,31,32)(H,33,34,35);;;1H/q;3*+1/p-3

smiles:
[H+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cc(OC)c(cc1C)N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O


name: 1-(2-hexyldecyl) dihydrogen benzene-1,2,4-tricarboxylate
cas: 85006-02-6
dtxsid: DTXSID801005332
formula: C25H38O6
inchikey: JHHSPLUROVWAPW-UHFFFAOYSA-N
norman_susdat_id: NS00060846
pubchem_cid: 44152089
smiles: O=C(O)C1=CC=C(C(=O)OCC(CCCCCC)CCCCCCCC)C(=C1)C(=O)O
inchi:
InChI=1/C25H38O6/c1-3-5-7-9-10-12-14-19(13-11-8-6-4-2)18-31-25(30)21-16-15-20(23(26)27)17-22(21)24(28)29/h15-17,19H,3-14,18H2,1-2H3,(H,26,27)(H,28,29)


name: Bis(2-hexyldecyl) maleate
cas: 85006-03-7
formula: C36H68O4
inchikey: WVWNMPSIIYQZIT-FLWNBWAVSA-N
norman_susdat_id: NS00061858
pubchem_cid: 6432965
smiles: O=C(OCC(CCCCCC)CCCCCCCC)C=CC(=O)OCC(CCCCCC)CCCCCCCC
inchi:
InChI=1/C36H68O4/c1-5-9-13-17-19-23-27-33(25-21-15-11-7-3)31-39-35(37)29-30-36(38)40-32-34(26-22-16-12-8-4)28-24-20-18-14-10-6-2/h29-30,33-34H,5-28,31-32H2,1-4H3


name: 2-Aminoethyl (R)-1,4-dioxacycloicos-2-ylmethyl hydrogen phosphate
cas: 85006-06-0
chemspiderid: 21164515
dtxsid: DTXSID80234063
formula: C21H44N1O6P1
inchikey: YZCUNXFZNBIBIK-OAQYLSRUSA-N
norman_susdat_id: NS00038735
pubchem_cid: 44149045
smiles: NCCOP(=O)(O)OCC1COCCCCCCCCCCCCCCCCO1
inchi:
InChI=1S/C21H44NO6P/c22-15-18-27-29(23,24)28-20-21-19-25-16-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-26-21/h21H,1-20,22H2,(H,23,24)/t21-/m1/s1


name: 2,2-bis[[[8-(3-octyloxiranyl)octanoyl]oxy]methyl]propane-1,3-diyl bis(3-octyloxiran-2-octanoate)
cas: 85006-09-3
formula: C77H140O12
inchikey: SMUKNEHKVGPDGS-UHFFFAOYSA-N
norman_susdat_id: NS00060847
pubchem_cid: 44149771
inchi:
InChI=1/C77H140O12/c1-5-9-13-17-25-37-49-65-69(86-65)53-41-29-21-33-45-57-73(78)82-61-77(62-83-74(79)58-46-34-22-30-42-54-70-66(87-70)50-38-26-18-14-10-6-2,63-84-75(80)59-47-35-23-31-43-55-71-67(88-71)51-39-27-19-15-11-7-3)64-85-76(81)60-48-36-24-32-44-56-72-68(89-72)52-40-28-20-16-12-8-4/h65-72H,5-64H2,1-4H3

smiles:
O=C(OCC(COC(=O)CCCCCCCC1OC1CCCCCCCC)(COC(=O)CCCCCCCC2OC2CCCCCCCC)COC(=O)CCCCCCCC3OC3CCCCCCCC)CCCCCCCC4OC4CCCCCCCC


name: Bis[(2-hydroxyethyl)(2-hydroxytetradecyl)dimethylammonium] hydrogen phosphate
cas: 85006-11-7
dtxsid: DTXSID501005333
formula: C18H40NO2
inchikey: WUXDHWTZIQJMSE-UHFFFAOYSA-K
norman_susdat_id: NS00060848
pubchem_cid: 10915934
smiles: O=P([O-])([O-])[O-].OCC[N+](C)(C)CC(O)CCCCCCCCCCCC.OCC[N+](C)(C)CC(O)CCCCCCCCCCCC
inchi:
InChI=1/2C18H40NO2.H3O4P/c2*1-4-5-6-7-8-9-10-11-12-13-14-18(21)17-19(2,3)15-16-20;1-5(2,3)4/h2*18,20-21H,4-17H2,1-3H3;(H3,1,2,3,4)/q2*+1;/p-3


name: Bis[(2-hydroxyethyl)(2-hydroxyhexadecyl)dimethylammonium] hydrogen phosphate
cas: 85006-13-9
formula: C20H44NO2.1/2HO4P
inchikey: XGLRCHLNJNALIO-UHFFFAOYSA-K
norman_susdat_id: NS00090879
smiles: CCCCCCCCCCCCCCC(O)C[N+](C)(C)CCO.CCCCCCCCCCCCCCC(O)C[N+](C)(C)CCO.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/2C20H44NO2.H3O4P/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19-21(2,3)17-18-22;1-5(2,3)4/h2*20,22-23H,4-19H2,1-3H3;(H3,1,2,3,4)/q2*+1;/p-3


cas: 85006-16-2
dtxsid: DTXSID00234065
formula: C28H36O21P2
inchikey: ZTLCHGXEZKJBEZ-QCWCCYFDSA-N
norman_susdat_id: NS00061879
pubchem_cid: NA
name:
(S)-7-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2,3-dihydro-2-[4-methoxy-3-(phosphonooxy)phenyl]-5-(phosphonooxy)-4H-1-benzopyran-4-one, disodium salt

inchi:
InChI=1/C28H36O21P2.2Na/c1-10-21(30)23(32)25(34)27(44-10)43-9-19-22(31)24(33)26(35)28(47-19)45-12-6-17-20(18(7-12)49-51(39,40)41)13(29)8-15(46-17)11-3-4-14(42-2)16(5-11)48-50(36,37)38;;/h3-7,10,15,19,21-28,30-35H,8-9H2,1-2H3,(H2,36,37,38)(H2,39,40,41);;/q;2*+1

smiles:
[Na+].[Na+].O=C1C=2C(OC(C3=CC=C(OC)C(OP(=O)(O)O)=C3)C1)=CC(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)=CC2OP(=O)(O)O


name: 1-amino-1-deoxyhexitol 6-stearate
cas: 85006-18-4
formula: C24H49NO6
inchikey: LRYMEBMAVMZPKA-UHFFFAOYSA-N
norman_susdat_id: NS00061880
pubchem_cid: 92037910
smiles: O=C(OCC(O)C(O)C(O)C(O)CN)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H49NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)31-19-21(27)24(30)23(29)20(26)18-25/h20-21,23-24,26-27,29-30H,2-19,25H2,1H3


name: 10-[(1,3-dimethyl-3-pyrrolidinyl)methyl]-10H-phenothiazine monohydrochloride
cas: 85006-24-2
dtxsid: DTXSID301005337
formula: C19H22N2S
inchikey: CTHVCPPTDIONIE-UHFFFAOYSA-N
norman_susdat_id: NS00061881
pubchem_cid: 208838
smiles: Cl.S1C=2C=CC=CC2N(C=3C=CC=CC13)CC4(C)CN(C)CC4
inchi:
InChI=1/C19H22N2S.ClH/c1-19(11-12-20(2)13-19)14-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;/h3-10H,11-14H2,1-2H3;1H


name: N2,N6-bis[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-lysine, compound with dicyclohexylamine (1:1)
cas: 85006-28-6
dtxsid: DTXSID80234068
formula: C30H36N4O6S2
inchikey: FGXHBMJHPVSNRO-UQIIZPHYSA-N
norman_susdat_id: NS00060849
pubchem_cid: 44145470
inchi:
InChI=1/C30H36N4O6S2.C12H23N/c1-33(2)26-16-7-13-23-21(26)11-9-18-28(23)41(37,38)31-20-6-5-15-25(30(35)36)32-42(39,40)29-19-10-12-22-24(29)14-8-17-27(22)34(3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7-14,16-19,25,31-32H,5-6,15,20H2,1-4H3,(H,35,36);11-13H,1-10H2

smiles:
O=C(O)C(NS(=O)(=O)C1=CC=CC=2C1=CC=CC2N(C)C)CCCCNS(=O)(=O)C3=CC=CC=4C3=CC=CC4N(C)C.N(C1CCCCC1)C2CCCCC2


name: 1-(diethylamino)-3-[(2,3-dimethoxy-6-nitroacridin-9-yl)amino]propan-2-ol monohydrochloride
cas: 85006-29-7
formula: C22H28N4O5.ClH
inchikey: YDEWUVKTIHHCKK-UHFFFAOYSA-N
norman_susdat_id: NS00090437
smiles: Cl.CCN(CC)CC(O)CNc1c2ccc(cc2nc3cc(OC)c(OC)cc13)[N+](=O)[O-]
inchi:
InChI=1/C22H28N4O5.ClH/c1-5-25(6-2)13-15(27)12-23-22-16-8-7-14(26(28)29)9-18(16)24-19-11-21(31-4)20(30-3)10-17(19)22;/h7-11,15,27H,5-6,12-13H2,1-4H3,(H,23,24);1H


name: Bis[2-(butylamino)-N-(2-chloro-6-methylphenyl)acetamide] 2-hydroxypropane-1,2,3-tricarboxylate
cas: 85006-30-0
formula: C13H19ClN2O.1/2C6H8O7
inchikey: BANLAHZFNMQJRA-UHFFFAOYSA-N
norman_susdat_id: NS00090880
smiles: CCCCNCC(=O)Nc1c(C)cccc1Cl.CCCCNCC(=O)Nc2c(C)cccc2Cl.OC(=O)CC(O)(CC(=O)O)C(=O)O
inchi:
InChI=1/2C13H19ClN2O.C6H8O7/c2*1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*5-7,15H,3-4,8-9H2,1-2H3,(H,16,17);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: Bis(N,N-diethylanilinium) heptahydrogen triphosphate
cas: 85006-32-2
formula: C10H15N.3/2H3O4P
inchikey: YSRZSGUOTWODEP-UHFFFAOYSA-G
norman_susdat_id: NS00090881
smiles: CC[NH+](CC)c1ccccc1.CC[NH+](CC)c2ccccc2.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]
inchi:
InChI=1/2C10H15N.3H3O4P/c2*1-3-11(4-2)10-8-6-5-7-9-10;3*1-5(2,3)4/h2*5-9H,3-4H2,1-2H3;3*(H3,1,2,3,4)/p-7


name: Decyl 3,5,5-trimethylhexyl hydrogen phosphate
cas: 85006-33-3
dtxsid: DTXSID701005339
formula: C19H41O4P
inchikey: HHMIRQAPOPSMHL-UHFFFAOYSA-N
norman_susdat_id: NS00060803
pubchem_cid: 16205554
smiles: O=P(O)(OCCCCCCCCCC)OCCC(C)CC(C)(C)C
inchi:
InChI=1/C19H41O4P/c1-6-7-8-9-10-11-12-13-15-22-24(20,21)23-16-14-18(2)17-19(3,4)5/h18H,6-17H2,1-5H3,(H,20,21)


name: Afatinib
cas: 850140-72-6
chebiid: CHEBI:91400
chemspiderid: 8360155
dtxsid: DTXSID20893451
formula: C24H25Cl1F1N5O3
inchikey: ULXXDDBFHOBEHA-UHFFFAOYSA-N
norman_susdat_id: NS00040695
pubchem_cid: 10184653
smiles: CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC1CCOC1
inchi:
InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)


name: Methyl octadecadienoate, compound with succinic anhydride (1:1)
cas: 85029-64-7
formula: C19H34O2
inchikey: FCBQXQBFRFLMAV-UHFFFAOYSA-N
norman_susdat_id: NS00060291
pubchem_cid: 85434144
smiles: O=C(OC)C=CC=CCCCCCCCCCCCCC.O=C1OC(=O)CC1
inchi:
InChI=1/C19H34O2.C4H4O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2;5-3-1-2-4(6)7-3/h15-18H,3-14H2,1-2H3;1-2H2


name: Octadecadienoic acid, compound with succinic anhydride (1:1)
cas: 85029-65-8
formula: C18H32O2
inchikey: ONJFSVYMHYBTEU-UHFFFAOYSA-N
norman_susdat_id: NS00060912
pubchem_cid: 92041031
smiles: O=C(O)C=CC=CCCCCCCCCCCCCC.O=C1OC(=O)CC1
inchi:
InChI=1/C18H32O2.C4H4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-3-1-2-4(6)7-3/h14-17H,2-13H2,1H3,(H,19,20);1-2H2


cas: 85029-83-0
dtxsid: DTXSID101005379
formula: C37H37N3O9
inchikey: RBJZXYZTXWYEKD-UHFFFAOYSA-M
norman_susdat_id: NS00060353
pubchem_cid: NA
name:
5-[(2-ethoxy-2-oxoethoxy)carbonyl]-1,3,3-trimethyl-2-[2-[5-nitro-1-[2-oxo-2-(2-oxopropoxy)ethyl]-2-phenyl-1H-indol-3-yl]vinyl]-3H-indolium iodide

inchi:
InChI=1/C37H36N3O9.HI/c1-6-47-34(43)22-49-36(44)25-12-15-31-29(18-25)37(3,4)32(38(31)5)17-14-27-28-19-26(40(45)46)13-16-30(28)39(20-33(42)48-21-23(2)41)35(27)24-10-8-7-9-11-24;/h7-19H,6,20-22H2,1-5H3;1H/q+1;/p-1

smiles:
[I-].O=C(OCC(=O)OCC)C=1C=CC2=C(C1)C(C(C=CC=3C=4C=C(C=CC4N(C3C=5C=CC=CC5)CC(=O)OCC(=O)C)[N+](=O)[O-])=[N+]2C)(C)C


name: Sodium bis(dinonylphenyl) sulphate
cas: 85029-86-3
dtxsid: DTXSID101005381
formula: C48H82O4S
inchikey: DPLZTGACWCVRJT-UHFFFAOYSA-N
norman_susdat_id: NS00060981
pubchem_cid: 3020292
smiles: [Na+].O=S(=O)(OC1=CC=CC(=C1CCCCCCCCC)CCCCCCCCC)OC2=CC=CC(=C2CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C48H82O4S.Na/c1-5-9-13-17-21-25-29-35-43-37-33-41-47(45(43)39-31-27-23-19-15-11-7-3)51-53(49,50)52-48-42-34-38-44(36-30-26-22-18-14-10-6-2)46(48)40-32-28-24-20-16-12-8-4;/h33-34,37-38,41-42H,5-32,35-36,39-40H2,1-4H3;/q;+1


name: Bis[bis(2-hydroxyethyl)ammonium] heptanedioate
cas: 85029-96-5
formula: C7H12O4.2C4H11NO2
inchikey: OLRWJLYTZWCENN-UHFFFAOYSA-N
norman_susdat_id: NS00090925
smiles: OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]C(=O)CCCCCC(=O)[O-]
inchi:
InChI=1/C7H12O4.2C4H11NO2/c8-6(9)4-2-1-3-5-7(10)11;2*6-3-1-5-2-4-7/h1-5H2,(H,8,9)(H,10,11);2*5-7H,1-4H2


name: Suberic acid, compound with 2,2'-iminodiethanol (1:2)
cas: 85029-97-6
formula: C8H14O4.2C4H11NO2
inchikey: VEABCXQSKCEIGD-UHFFFAOYSA-N
norman_susdat_id: NS00090473
smiles: OCCNCCO.OCCNCCO.OC(=O)CCCCCCC(=O)O
inchi:
InChI=1/C8H14O4.2C4H11NO2/c9-7(10)5-3-1-2-4-6-8(11)12;2*6-3-1-5-2-4-7/h1-6H2,(H,9,10)(H,11,12);2*5-7H,1-4H2


name: Azelaic acid, compound with 2,2'-iminodiethanol (1:2)
cas: 85029-98-7
formula: C9H16O4.2C4H11NO2
inchikey: JRHMBAJQIGOZIA-UHFFFAOYSA-N
norman_susdat_id: NS00090530
smiles: OCCNCCO.OCCNCCO.OC(=O)CCCCCCCC(=O)O
inchi:
InChI=1/C9H16O4.2C4H11NO2/c10-8(11)6-4-2-1-3-5-7-9(12)13;2*6-3-1-5-2-4-7/h1-7H2,(H,10,11)(H,12,13);2*5-7H,1-4H2


name: Undecanedioic acid, compound with 2,2'-iminodiethanol (1:2)
cas: 85029-99-8
formula: C11H20O4.2C4H11NO2
inchikey: QEAXZXZNQAOHFQ-UHFFFAOYSA-N
norman_susdat_id: NS00090531
smiles: OCCNCCO.OCCNCCO.OC(=O)CCCCCCCCCC(=O)O
inchi:
InChI=1/C11H20O4.2C4H11NO2/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15;2*6-3-1-5-2-4-7/h1-9H2,(H,12,13)(H,14,15);2*5-7H,1-4H2


name: Bis[tris(2-hydroxyethyl)ammonium] glutarate
cas: 85030-00-8
formula: C6H15NO3.1/2C5H8O4
inchikey: SKYCFXHOZFMRBO-UHFFFAOYSA-N
norman_susdat_id: NS00090532
smiles: OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO.[O-]C(=O)CCCC(=O)[O-]
inchi:
InChI=1/2C6H15NO3.C5H8O4/c2*8-4-1-7(2-5-9)3-6-10;6-4(7)2-1-3-5(8)9/h2*8-10H,1-6H2;1-3H2,(H,6,7)(H,8,9)


name: Dodecanedioic acid, compound with 2,2'-iminodiethanol (1:2)
cas: 85030-01-9
formula: C12H22O4.2C4H11NO2
inchikey: NTFDWJSSZLBXTM-UHFFFAOYSA-N
norman_susdat_id: NS00090926
smiles: OCCNCCO.OCCNCCO.OC(=O)CCCCCCCCCCC(=O)O
inchi:
InChI=1/C12H22O4.2C4H11NO2/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;2*6-3-1-5-2-4-7/h1-10H2,(H,13,14)(H,15,16);2*5-7H,1-4H2


name: Adipic acid, compound with 2,2',2''-nitrilotriethanol (1:2)
cas: 85030-02-0
formula: C6H15NO3.1/2C6H10O4
inchikey: SWKCTIFLXPMDFL-UHFFFAOYSA-N
norman_susdat_id: NS00090927
smiles: OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCC(=O)O
inchi:
InChI=1/2C6H15NO3.C6H10O4/c2*8-4-1-7(2-5-9)3-6-10;7-5(8)3-1-2-4-6(9)10/h2*8-10H,1-6H2;1-4H2,(H,7,8)(H,9,10)


name: Bis[tris(2-hydroxyethyl)ammonium] heptanedioate
cas: 85030-03-1
formula: C7H12O4.2C6H15NO3
inchikey: LHPGYNAVUHSADT-UHFFFAOYSA-N
norman_susdat_id: NS00090928
smiles: OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO.[O-]C(=O)CCCCCC(=O)[O-]
inchi:
InChI=1/C7H12O4.2C6H15NO3/c8-6(9)4-2-1-3-5-7(10)11;2*8-4-1-7(2-5-9)3-6-10/h1-5H2,(H,8,9)(H,10,11);2*8-10H,1-6H2


name: Suberic acid, compound with 2,2',2''-nitrilotriethanol (1:2)
cas: 85030-04-2
formula: C8H14O4.2C6H15NO3
inchikey: FGQABOZGVBGOLT-UHFFFAOYSA-N
norman_susdat_id: NS00090261
smiles: OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCCCC(=O)O
inchi:
InChI=1/C8H14O4.2C6H15NO3/c9-7(10)5-3-1-2-4-6-8(11)12;2*8-4-1-7(2-5-9)3-6-10/h1-6H2,(H,9,10)(H,11,12);2*8-10H,1-6H2


name: Azelaic acid, compound with 2,2',2''-nitrilotriethanol (1:2)
cas: 85030-05-3
formula: C9H16O4.2C6H15NO3
inchikey: WRNGHSHCHHZRRA-UHFFFAOYSA-N
norman_susdat_id: NS00090474
smiles: OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCCCCC(=O)O
inchi:
InChI=1/C9H16O4.2C6H15NO3/c10-8(11)6-4-2-1-3-5-7-9(12)13;2*8-4-1-7(2-5-9)3-6-10/h1-7H2,(H,10,11)(H,12,13);2*8-10H,1-6H2


name: Sebacic acid, compound with 2,2',2''-nitrilotriethanol (1:2)
cas: 85030-06-4
formula: C10H18O4.2C6H15NO3
inchikey: VGRTVLVGICQTDF-UHFFFAOYSA-N
norman_susdat_id: NS00090929
smiles: OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCCCCCC(=O)O
inchi:
InChI=1/C10H18O4.2C6H15NO3/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;2*8-4-1-7(2-5-9)3-6-10/h1-8H2,(H,11,12)(H,13,14);2*8-10H,1-6H2


name: Undecanedioic acid, compound with 2,2',2''-nitrilotriethanol (1:2)
cas: 85030-07-5
formula: C11H20O4.2C6H15NO3
inchikey: ZNTMQZFNYHPDMZ-UHFFFAOYSA-N
norman_susdat_id: NS00090475
smiles: OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCCCCCCC(=O)O
inchi:
InChI=1/C11H20O4.2C6H15NO3/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15;2*8-4-1-7(2-5-9)3-6-10/h1-9H2,(H,12,13)(H,14,15);2*8-10H,1-6H2


name: Dodecanedioic acid, compound with 2,2',2''-nitrilotriethanol (1:2)
cas: 85030-08-6
formula: C12H22O4.2C6H15NO3
inchikey: ONJCEWDYMQEPNH-UHFFFAOYSA-N
norman_susdat_id: NS00090533
smiles: OCCN(CCO)CCO.OCCN(CCO)CCO.OC(=O)CCCCCCCCCCC(=O)O
inchi:
InChI=1/C12H22O4.2C6H15NO3/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;2*8-4-1-7(2-5-9)3-6-10/h1-10H2,(H,13,14)(H,15,16);2*8-10H,1-6H2


name: 1,5,9-trimethyl-1-vinyldeca-4,8-dienyl phenylacetate
cas: 85030-16-6
formula: C23H32O2
inchikey: FHYSZDJZDKDKIJ-UHFFFAOYSA-N
norman_susdat_id: NS00061994
pubchem_cid: 53421864
smiles: O=C(OC(C=C)(C)CCC=C(C)CCC=C(C)C)CC=1C=CC=CC1
inchi:
InChI=1/C23H32O2/c1-6-23(5,17-11-14-20(4)13-10-12-19(2)3)25-22(24)18-21-15-8-7-9-16-21/h6-9,12,14-16H,1,10-11,13,17-18H2,2-5H3


name: Dipotassium 4-(benzoylamino)-5-hydroxynaphthalene-2,7-disulphonate
cas: 85030-19-9
formula: C17H13NO8S2.2K
inchikey: ZATXXPSITRJFHO-UHFFFAOYSA-L
norman_susdat_id: NS00090217
smiles: [K+].[K+].Oc1cc(cc2cc(cc(NC(=O)c3ccccc3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C17H13NO8S2.2K/c19-15-9-13(28(24,25)26)7-11-6-12(27(21,22)23)8-14(16(11)15)18-17(20)10-4-2-1-3-5-10;;/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: 4,4'-cyclohexylidenedianilinium dichloride
cas: 85030-20-2
formula: C18H22N2.2ClH
inchikey: VCDRTFHTOUCNQN-UHFFFAOYSA-N
norman_susdat_id: NS00090669
smiles: [Cl-].[Cl-].[NH3+]c1ccc(cc1)C2(CCCCC2)c3ccc([NH3+])cc3
inchi:
InChI=1/C18H22N2.2ClH/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15;;/h4-11H,1-3,12-13,19-20H2;2*1H


name: 2-[(4-amino-m-tolyl)azo]-3-methylbenzothiazolium methyl sulphate
cas: 85030-22-4
dtxsid: DTXSID90888657
formula: C15H15N4S
inchikey: HSKOFFVAVDVROK-UHFFFAOYSA-N
norman_susdat_id: NS00060223
pubchem_cid: 21125218
smiles: O=S(=O)([O-])OC.N(=NC=1SC=2C=CC=CC2[N+]1C)C3=CC=C(N)C(=C3)C
inchi:
InChI=1/C15H14N4S.CH4O4S/c1-10-9-11(7-8-12(10)16)17-18-15-19(2)13-5-3-4-6-14(13)20-15;1-5-6(2,3)4/h3-9,16H,1-2H3;1H3,(H,2,3,4)


cas: 85030-24-6
formula: C20H28ClN5O3
inchikey: JEGYQKQNBGMCBX-UHFFFAOYSA-M
norman_susdat_id: NS00059657
pubchem_cid: 21149616
smiles: O=C([O-])C.O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CC[N+](C)(C)CCO)C(Cl)=C1
name:
[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl](2-hydroxyethyl)dimethylammonium acetate

inchi:
InChI=1/C20H27ClN5O3.C2H4O2/c1-4-24(11-12-26(2,3)13-14-27)17-7-5-16(6-8-17)22-23-20-10-9-18(25(28)29)15-19(20)21;1-2(3)4/h5-10,15,27H,4,11-14H2,1-3H3;1H3,(H,3,4)/q+1;/p-1


name: Sodium p-[[3,5-dibromo-4-[[p-[(2-cyanoethyl)ethylamino]phenyl]azo]phenyl]azo]benzenesulphonate
cas: 85030-25-7
formula: C23H20Br2N6O3S
inchikey: MJBZYVNHNACHCV-UHFFFAOYSA-M
norman_susdat_id: NS00060224
pubchem_cid: NA
smiles: [Na+].N#CCCN(C1=CC=C(N=NC=2C(Br)=CC(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])=CC2Br)C=C1)CC
inchi:
InChI=1/C23H20Br2N6O3S.Na/c1-2-31(13-3-12-26)19-8-4-16(5-9-19)28-30-23-21(24)14-18(15-22(23)25)29-27-17-6-10-20(11-7-17)35(32,33)34;/h4-11,14-15H,2-3,13H2,1H3,(H,32,33,34);/q;+1/p-1


name: Sodium 3-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)azo]-2,5-dimethoxyphenyl]azo]benzenesulphonate
cas: 85030-26-8
formula: C19H20N6O5S.Na
inchikey: LPGZJEXEZCVFHN-UHFFFAOYSA-M
norman_susdat_id: NS00090227
smiles: [Na+].Cc3nnc(C)c3N=Nc2cc(OC)c(N=Nc1cccc(c1)S([O-])(=O)=O)cc2OC
inchi:
InChI=1/C19H20N6O5S.Na/c1-11-19(12(2)21-20-11)25-24-16-10-17(29-3)15(9-18(16)30-4)23-22-13-6-5-7-14(8-13)31(26,27)28;/h5-10H,1-4H3,(H,20,21)(H,26,27,28);/q;+1/p-1


cas: 85030-28-0
dtxsid: DTXSID601005398
formula: C25H18N4O6S
inchikey: BBBJITFOTVKXOR-UHFFFAOYSA-M
norman_susdat_id: NS00061386
pubchem_cid: 3020306
smiles: [Na+].O=C1C2=CC=C(N=NC3=C(N)C=CC4=CC(=CC(O)=C43)S(=O)(=O)[O-])C=C2C(=O)N1C5=CC=C(C=C5)C
name:
Sodium 6-amino-5-[[2,3-dihydro-1,3-dioxo-2-(p-tolyl)-1H-isoindol-5-yl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C25H18N4O6S.Na/c1-13-2-6-16(7-3-13)29-24(31)18-8-5-15(11-19(18)25(29)32)27-28-23-20(26)9-4-14-10-17(36(33,34)35)12-21(30)22(14)23;/h2-12,30H,26H2,1H3,(H,33,34,35);/q;+1/p-1


cas: 85030-33-7
dtxsid: DTXSID301005399
formula: C40H53N5O2
inchikey: HWSMWUODYQMKMX-UHFFFAOYSA-L
norman_susdat_id: NS00060253
pubchem_cid: NA
name:
1,1'-[(butylimino)bis(2-hydroxypropane-1,3-diyl)]bis[4-[2-[4-(dimethylamino)phenyl]vinyl]pyridinium] dichloride

inchi:
InChI=1/C40H53N5O2.2ClH/c1-6-7-24-45(31-39(46)29-43-25-20-35(21-26-43)10-8-33-12-16-37(17-13-33)41(2)3)32-40(47)30-44-27-22-36(23-28-44)11-9-34-14-18-38(19-15-34)42(4)5;;/h8-23,25-28,39-40,46-47H,6-7,24,29-32H2,1-5H3;2*1H/q+2;;/p-2

smiles:
[Cl-].[Cl-].OC(CN(CCCC)CC(O)C[N+]1=CC=C(C=CC2=CC=C(C=C2)N(C)C)C=C1)C[N+]3=CC=C(C=CC4=CC=C(C=C4)N(C)C)C=C3


cas: 85030-34-8
dtxsid: DTXSID101005400
formula: C44H61N5O2
inchikey: KZAVLDGHMCLTTM-UHFFFAOYSA-L
norman_susdat_id: NS00060332
pubchem_cid: NA
name:
1,1'-[(butylimino)bis(2-hydroxypropane-1,3-diyl)]bis[4-[2-[4-(diethylamino)phenyl]vinyl]pyridinium] dichloride

inchi:
InChI=1/C44H61N5O2.2ClH/c1-6-11-28-47(35-43(50)33-45-29-24-39(25-30-45)14-12-37-16-20-41(21-17-37)48(7-2)8-3)36-44(51)34-46-31-26-40(27-32-46)15-13-38-18-22-42(23-19-38)49(9-4)10-5;;/h12-27,29-32,43-44,50-51H,6-11,28,33-36H2,1-5H3;2*1H/q+2;;/p-2

smiles:
[Cl-].[Cl-].OC(CN(CCCC)CC(O)C[N+]1=CC=C(C=CC2=CC=C(C=C2)N(CC)CC)C=C1)C[N+]3=CC=C(C=CC4=CC=C(C=C4)N(CC)CC)C=C3


cas: 85030-36-0
formula: C48H47N6O3.H2NO3S
inchikey: GHSNXGYBHYNZBZ-UHFFFAOYSA-M
norman_susdat_id: NS00089961
name:
9-(2-carboxyphenyl)-3,6-bis[[2-ethyl-6-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]phenyl]amino]xanthylium sulphamate

inchi:
InChI=1/C48H46N6O3.H3NO3S/c1-7-33-19-31(21-41-29(5)49-25-51-41)17-27(3)46(33)53-35-13-15-39-43(23-35)57-44-24-36(14-16-40(44)45(39)37-11-9-10-12-38(37)48(55)56)54-47-28(4)18-32(20-34(47)8-2)22-42-30(6)50-26-52-42;1-5(2,3)4/h9-20,23-26,53-54H,7-8,21-22H2,1-6H3,(H2-,49,50,51,52,55,56);(H3,1,2,3,4)

smiles:
CCc1cc(Cc2nc[nH]c2C)cc(C)c1Nc3ccc4c(c5ccccc5C(=O)O)c6ccc(Nc7c(C)cc(Cc8nc[nH]c8C)cc7CC)cc6[o+]c4c3.NS(=O)(=O)[O-]


cas: 85030-37-1
formula: C48H47N6O3.C2H3O2
inchikey: SFYVEVUMZUOZIT-UHFFFAOYSA-M
norman_susdat_id: NS00090670
name:
9-(2-carboxyphenyl)-3,6-bis[[2-ethyl-6-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]phenyl]amino]xanthylium acetate

inchi:
InChI=1/C48H46N6O3.C2H4O2/c1-7-33-19-31(21-41-29(5)49-25-51-41)17-27(3)46(33)53-35-13-15-39-43(23-35)57-44-24-36(14-16-40(44)45(39)37-11-9-10-12-38(37)48(55)56)54-47-28(4)18-32(20-34(47)8-2)22-42-30(6)50-26-52-42;1-2(3)4/h9-20,23-26,53-54H,7-8,21-22H2,1-6H3,(H2-,49,50,51,52,55,56);1H3,(H,3,4)

smiles:
CCc1cc(Cc2nc[nH]c2C)cc(C)c1Nc3ccc4c(c5ccccc5C(=O)O)c6ccc(Nc7c(C)cc(Cc8[nH]cnc8C)cc7CC)cc6[o+]c4c3.CC(=O)[O-]


name: 8-amino-5-[(2-methoxy-4-nitrophenyl)azo]-2-naphthol
cas: 85030-46-2
dtxsid: DTXSID501005402
formula: C17H15N4O4
inchikey: PQAXKPIDVBMZJN-UHFFFAOYSA-N
norman_susdat_id: NS00059705
pubchem_cid: 135750091
smiles: O=[N+]([O-])C1=CC=C(N=NC=2C=CC(N)=C3C=C(O)C=CC23)C(OC)=C1
inchi:
InChI=1/C17H14N4O4/c1-25-17-8-10(21(23)24)2-6-16(17)20-19-15-7-5-14(18)13-9-11(22)3-4-12(13)15/h2-9,22H,18H2,1H3


name: Sodium N,N-didecyl-ß-alaninate
cas: 85030-48-4
dtxsid: DTXSID10234096
formula: C23H47NO2
inchikey: JALJZYPKXUGUFH-UHFFFAOYSA-M
norman_susdat_id: NS00061387
pubchem_cid: 44145701
smiles: [Na+].O=C([O-])CCN(CCCCCCCCCC)CCCCCCCCCC
inchi:
InChI=1/C23H47NO2.Na/c1-3-5-7-9-11-13-15-17-20-24(22-19-23(25)26)21-18-16-14-12-10-8-6-4-2;/h3-22H2,1-2H3,(H,25,26);/q;+1/p-1


name: 2,4-dinonylphenyl bis(4-nonylphenyl) phosphite
cas: 85030-49-5
dtxsid: DTXSID70234097
formula: C54H87O3P
inchikey: LDLQMIVOOISNKJ-UHFFFAOYSA-N
norman_susdat_id: NS00060254
pubchem_cid: 5743893
smiles: O(C1=CC=C(C=C1)CCCCCCCCC)P(OC2=CC=C(C=C2)CCCCCCCCC)OC3=CC=C(C=C3CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C54H87O3P/c1-5-9-13-17-21-25-29-33-48-37-42-52(43-38-48)55-58(56-53-44-39-49(40-45-53)34-30-26-22-18-14-10-6-2)57-54-46-41-50(35-31-27-23-19-15-11-7-3)47-51(54)36-32-28-24-20-16-12-8-4/h37-47H,5-36H2,1-4H3


name: N,N'-((2,2-Bis(hydroxymethyl)-1,3-propanediyl)bis(oxymethylene))bis(acrylamide)
cas: 85030-50-8
chemspiderid: 21164551
dtxsid: DTXSID30234098
formula: C13H22N2O6
inchikey: QFNMALAPRQGEBL-UHFFFAOYSA-N
norman_susdat_id: NS00038742
pubchem_cid: 44150426
smiles: OCC(CO)(COCNC(=O)C=C)COCNC(=O)C=C
inchi:
InChI=1S/C13H22N2O6/c1-3-11(18)14-9-20-7-13(5-16,6-17)8-21-10-15-12(19)4-2/h3-4,16-17H,1-2,5-10H2,(H,14,18)(H,15,19)


name: 5-chloro-2-(4-chlorophenoxy)anilinium sulphate (2:1)
cas: 85030-58-6
formula: C12H9Cl2NO.1/2H2O4S
inchikey: BXZNIHUPARFOGQ-UHFFFAOYSA-N
norman_susdat_id: NS00090228
smiles: [NH3+]c1cc(Cl)ccc1Oc2ccc(Cl)cc2.[NH3+]c3cc(Cl)ccc3Oc4ccc(Cl)cc4.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/2C12H9Cl2NO.H2O4S/c2*13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15;1-5(2,3)4/h2*1-7H,15H2;(H2,1,2,3,4)


name: 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-methoxyphenyl)-3-oxobutyramide]
cas: 85030-59-7
formula: C36H36N6O8
inchikey: NWIJWXFXEQCPME-UHFFFAOYSA-N
norman_susdat_id: NS00061413
pubchem_cid: 44146048
smiles: O=C(NC1=CC=C(OC)C=C1)C(N=NC=2C=CC(=CC2OC)C3=CC=C(N=NC(C(=O)NC4=CC=C(OC)C=C4)C(=O)C)C(OC)=C3)C(=O)C
inchi:
InChI=1/C36H36N6O8/c1-21(43)33(35(45)37-25-9-13-27(47-3)14-10-25)41-39-29-17-7-23(19-31(29)49-5)24-8-18-30(32(20-24)50-6)40-42-34(22(2)44)36(46)38-26-11-15-28(48-4)16-12-26/h7-20,33-34H,1-6H3,(H,37,45)(H,38,46)


name: 4,4'-bis[[1-[[(4-methylphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid
cas: 85030-60-0
formula: C34H32N6O10S2
inchikey: HGEHAJHQWPJEGZ-UHFFFAOYSA-N
norman_susdat_id: NS00061414
pubchem_cid: 44146049
inchi:
InChI=1/C34H32N6O10S2/c1-19-5-9-23(10-6-19)35-33(43)31(21(3)41)39-37-25-13-15-27(29(17-25)51(45,46)47)28-16-14-26(18-30(28)52(48,49)50)38-40-32(22(4)42)34(44)36-24-11-7-20(2)8-12-24/h5-18,31-32H,1-4H3,(H,35,43)(H,36,44)(H,45,46,47)(H,48,49,50)

smiles:
O=C(NC1=CC=C(C=C1)C)C(N=NC=2C=CC(C3=CC=C(N=NC(C(=O)NC4=CC=C(C=C4)C)C(=O)C)C=C3S(=O)(=O)O)=C(C2)S(=O)(=O)O)C(=O)C


cas: 85030-61-1
formula: C36H34Cl2N6O14S2
inchikey: OCAWVJGJFRRZLG-UHFFFAOYSA-N
norman_susdat_id: NS00061415
pubchem_cid: 44153066
name:
4,4'-bis[[1-[[(4-chloro-2,5-dimethoxyphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid

inchi:
InChI=1/C36H34Cl2N6O14S2/c1-17(45)33(35(47)39-25-15-27(55-3)23(37)13-29(25)57-5)43-41-19-7-9-21(31(11-19)59(49,50)51)22-10-8-20(12-32(22)60(52,53)54)42-44-34(18(2)46)36(48)40-26-16-28(56-4)24(38)14-30(26)58-6/h7-16,33-34H,1-6H3,(H,39,47)(H,40,48)(H,49,50,51)(H,52,53,54)

smiles:
O=C(NC1=CC(OC)=C(Cl)C=C1OC)C(N=NC=2C=CC(C3=CC=C(N=NC(C(=O)NC4=CC(OC)=C(Cl)C=C4OC)C(=O)C)C=C3S(=O)(=O)O)=C(C2)S(=O)(=O)O)C(=O)C


name: 3-oxo-N-phenyl-2-(1H-1,2,4-triazol-3-ylazo)butyramide
cas: 85030-62-2
formula: NA
inchikey: APVVINPHMLWROB-UHFFFAOYSA-N
norman_susdat_id: NS00060278
pubchem_cid: 135755684
smiles: CC(=O)C(N=Nc1ncnn1)C(=O)Nc2ccccc2
inchi:
InChI=1/C12H12N6O2/c1-8(19)10(16-18-12-13-7-14-17-12)11(20)15-9-5-3-2-4-6-9/h2-7,10H,1H3,(H,15,20)(H,13,14,17)


cas: 85030-63-3
formula: C34H32N6O12S2
inchikey: DTIDJRWEGPNPAI-UHFFFAOYSA-N
norman_susdat_id: NS00060335
pubchem_cid: 44146265
name:
4,4'-bis[[1-[[(4-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid

inchi:
InChI=1/C34H32N6O12S2/c1-19(41)31(33(43)35-21-5-11-25(51-3)12-6-21)39-37-23-9-15-27(29(17-23)53(45,46)47)28-16-10-24(18-30(28)54(48,49)50)38-40-32(20(2)42)34(44)36-22-7-13-26(52-4)14-8-22/h5-18,31-32H,1-4H3,(H,35,43)(H,36,44)(H,45,46,47)(H,48,49,50)

smiles:
O=C(NC1=CC=C(OC)C=C1)C(N=NC=2C=CC(C3=CC=C(N=NC(C(=O)NC4=CC=C(OC)C=C4)C(=O)C)C=C3S(=O)(=O)O)=C(C2)S(=O)(=O)O)C(=O)C


cas: 850348-10-6
chemspiderid: NA
formula: C44H86N2O16P2
inchikey: KXKGMUOPRDHGAC-UHFFFAOYSA-N
norman_susdat_id: NS00005974
pubchem_cid: 59863147
name:
butan-1,4-diyl 4-carboxy-4-{[(1-(diethoxyphosphinyl)-2,2-dimethylpropyl)(1,1-dimethylethyl)amino]oxy}-2,2-dimethylbutanoate.

inchi:
InChI=1S/C44H86N2O16P2/c1-21-57-63(53,58-22-2)35(39(5,6)7)45(41(11,12)13)61-31(29-43(17,18)37(49)50)33(47)55-27-25-26-28-56-34(48)32(30-44(19,20)38(51)52)62-46(42(14,15)16)36(40(8,9)10)64(54,59-23-3)60-24-4/h31-32,35-36H,21-30H2,1-20H3,(H,49,50)(H,51,52)

smiles:
CCOP(=O)(OCC)C(N(OC(CC(C)(C)C(O)=O)C(=O)OCCCCOC(=O)C(CC(C)(C)C(O)=O)ON(C(C(C)(C)C)P(=O)(OCC)OCC)C(C)(C)C)C(C)(C)C)C(C)(C)C


name: Naphyrone
cas: 850352-53-3
chemspiderid: NA
dtxsid: DTXSID301014192
formula: C19H23N1O1
inchikey: DTNUPBSOODGRKW-UHFFFAOYSA-N
norman_susdat_id: NS00015475
pubchem_cid: 11243002
smiles: CCCC(C(=O)C1=CC2=CC=CC=C2C=C1)N3CCCC3
inchi:
InChI=1S/C19H23NO/c1-2-7-18(20-12-5-6-13-20)19(21)17-11-10-15-8-3-4-9-16(15)14-17/h3-4,8-11,14,18H,2,5-7,12-13H2,1H3


name: N,N'-Bis(1-oxobutyl)-L-cysteine
cas: 85038-49-9
chemspiderid: 34998824
dtxsid: DTXSID80234104
formula: C11H19N1O4S1
inchikey: FQEGSJAFMDXDSU-QMMMGPOBSA-N
norman_susdat_id: NS00038745
pubchem_cid: 44144858
smiles: CCCC(=O)N(C(CS)C(=O)O)C(=O)CCC
inchi:
InChI=1S/C11H19NO4S/c1-3-5-9(13)12(10(14)6-4-2)8(7-17)11(15)16/h8,17H,3-7H2,1-2H3,(H,15,16)/t8-/m1/s1


cas: 85048-01-7
chemspiderid: 21164559
dtxsid: DTXSID60234107
formula: C15H24
inchikey: DJAYTQZJAJXFDU-XVIXHAIJSA-N
norman_susdat_id: NS00038747
pubchem_cid: 21595261
smiles: CC1CCC2C1C1C(CC=C2C)C1(C)C
name:
(1aalpha,4aalpha,7alpha,7abeta,7balpha)-(-)-1a,2,4a,5,6,7,7a,7b-Octahydro-1,1,4,7-tetramethyl-1H-cycloprop(e)azulene

inchi:
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h6,10-14H,5,7-8H2,1-4H3/t10-,11+,12-,13+,14+/m0/s1


cas: 85049-94-1
formula: C112H204O21
inchikey: DSLLWPUAZZASBV-UHFFFAOYSA-N
norman_susdat_id: NS00059810
pubchem_cid: 53422471
name:
1-heptadec-8-enyl 23-octadecyl 3-[(heptadec-8-enyloxy)carbonyl]-3,12,21-trihydroxy-8,17-dimethyl-12,21-bis[(octadecyloxy)carbonyl]-5,10,14,19-tetraoxo-6,9,15,18-tetraoxatricosanedioate

inchi:
InChI=1/C112H204O21/c1-8-13-18-23-28-33-38-43-48-53-57-62-67-72-77-82-87-126-102(114)92-111(123,108(120)128-89-84-79-74-69-64-59-54-49-44-39-34-29-24-19-14-9-2)95-105(117)132-100(7)98-131-104(116)94-112(124,109(121)129-90-85-80-75-70-65-60-55-50-45-40-35-30-25-20-15-10-3)96-106(118)133-99(6)97-130-103(115)93-110(122,107(119)127-88-83-78-73-68-63-58-52-47-42-37-32-27-22-17-12-5)91-101(113)125-86-81-76-71-66-61-56-51-46-41-36-31-26-21-16-11-4/h46-47,51-52,99-100,122-124H,8-45,48-50,53-98H2,1-7H3

smiles:
O=C(OCCCCCCCC=CCCCCCCCC)CC(O)(C(=O)OCCCCCCCC=CCCCCCCCC)CC(=O)OCC(OC(=O)CC(O)(C(=O)OCCCCCCCCCCCCCCCCCC)CC(=O)OCC(OC(=O)CC(O)(C(=O)OCCCCCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCCCCCCCC)C)C


name: Dodecanedioic acid, compound with 2,2',2''-nitrilotriethanol
cas: 85049-97-4
formula: C12H22O4.xC6H15NO3
inchikey: YFEYEKFYYORKFZ-UHFFFAOYSA-N
norman_susdat_id: NS00090253
smiles: OCCN(CCO)CCO.OC(=O)CCCCCCCCCCC(=O)O
inchi:
InChI=1/C12H22O4.C6H15NO3/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;8-4-1-7(2-5-9)3-6-10/h1-10H2,(H,13,14)(H,15,16);8-10H,1-6H2


cas: 85049-99-6
formula: C23H26N2OS3
inchikey: PSKSUZATVUPWJN-UHFFFAOYSA-N
norman_susdat_id: NS00059811
pubchem_cid: 3020313
smiles: O=C1C(SC(=S)N1C2CCCCC2)=C(C=CC=C3SC=4C=CC=CC4N3CC)C
name:
3-cyclohexyl-5-[4-(3-ethylbenzothiazol-2(3H)-ylidene)-1-methylbut-2-enylidene]-2-thioxothiazolidin-4-one

inchi:
InChI=1/C23H26N2OS3/c1-3-24-18-13-7-8-14-19(18)28-20(24)15-9-10-16(2)21-22(26)25(23(27)29-21)17-11-5-4-6-12-17/h7-10,13-15,17H,3-6,11-12H2,1-2H3


name: Tetramethyl 5,5'-((1,4-dioxo-1,4-butanediyl)diimino)bisisophthalate
cas: 85050-00-6
chemspiderid: 4260045
dtxsid: DTXSID90234110
formula: C24H24N2O10
inchikey: GVZGIHSLVRGGKW-UHFFFAOYSA-N
norman_susdat_id: NS00038749
pubchem_cid: 5083761
smiles: COC(=O)c1cc(cc(NC(=O)CCC(=O)Nc2cc(cc(c2)C(=O)OC)C(=O)OC)c1)C(=O)OC
inchi:
InChI=1S/C24H24N2O10/c1-33-21(29)13-7-14(22(30)34-2)10-17(9-13)25-19(27)5-6-20(28)26-18-11-15(23(31)35-3)8-16(12-18)24(32)36-4/h7-12H,5-6H2,1-4H3,(H,25,27)(H,26,28)


cas: 85050-02-8
formula: C29H31N2SSe.C2H5O4S
inchikey: XWJWRAFTFWXPAY-UHFFFAOYSA-M
norman_susdat_id: NS00090017
smiles: [O-]S(=O)(=O)OCC.CC[n+]3c4c5ccccc5ccc4sc3C=C(CC)C=C2[Se]c1cc(C)c(C)cc1N2CC
name:
Ethyl 1-ethyl-2-[2-[(3-ethyl-5,6-dimethyl-3H-benzoselenazol-2-ylidene)methyl]-1-butenyl]naphtho[1,2-d]thiazolium sulphate

inchi:
InChI=1/C29H31N2SSe.C2H6O4S/c1-6-21(18-28-30(7-2)24-15-19(4)20(5)16-26(24)33-28)17-27-31(8-3)29-23-12-10-9-11-22(23)13-14-25(29)32-27;1-2-6-7(3,4)5/h9-18H,6-8H2,1-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


cas: 85050-03-9
formula: C28H34N2O4S2Se
inchikey: OABSCUJOMPWODV-UHFFFAOYSA-N
norman_susdat_id: NS00090273
smiles: CC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2[Se]c1ccc(cc1N2CCCCS([O-])(=O)=O)OC
name:
3-ethyl-2-[2-[[5-methoxy-3-(4-sulphonatobutyl)benzoselenazol-2(3H)-ylidene]methyl]but-1-enyl]-5,6-dimethylbenzothiazolium

inchi:
InChI=1/C28H34N2O4S2Se/c1-6-21(16-27-29(7-2)23-14-19(3)20(4)15-25(23)35-27)17-28-30(12-8-9-13-36(31,32)33)24-18-22(34-5)10-11-26(24)37-28/h10-11,14-18H,6-9,12-13H2,1-5H3


cas: 85050-04-0
dtxsid: DTXSID301005418
formula: C32H31F2N2O4S
inchikey: RKBKNSWWUNOJEE-UHFFFAOYSA-M
norman_susdat_id: NS00060367
pubchem_cid: NA
smiles: [I-].O=C(OC)CCN1C=2C=CC=CC2C(C=CC3=[N+](C=4C=CC(=CC4C3(C)C)S(=O)(=O)C(F)F)C)=C1C=5C=CC=CC5
name:
5-[(difluoromethyl)sulphonyl]-2-[2-[1-(3-methoxy-3-oxopropyl)-2-phenyl-1H-indol-3-yl]vinyl]-1,3,3-trimethyl-3H-indolium iodide

inchi:
InChI=1/C32H31F2N2O4S.HI/c1-32(2)25-20-22(41(38,39)31(33)34)14-16-27(25)35(3)28(32)17-15-24-23-12-8-9-13-26(23)36(19-18-29(37)40-4)30(24)21-10-6-5-7-11-21;/h5-17,20,31H,18-19H2,1-4H3;1H/q+1;/p-1


cas: 85050-06-2
dtxsid: DTXSID001005419
formula: C22H20N3O2S
inchikey: MGBJLQOGUZXASV-UHFFFAOYSA-M
norman_susdat_id: NS00061507
pubchem_cid: NA
smiles: O=C(OC)C=1C=CC(=CC1)C2=NN(C(S2)=CC=3C=CC=4C=CC=CC4[N+]3C)C.O=S(=O)([O-])OC
name:
2-[[5-[4-(methoxycarbonyl)phenyl]-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene]methyl]-1-methylquinolinium methyl sulphate

inchi:
InChI=1/C22H20N3O2S.CH4O4S/c1-24-18(13-12-15-6-4-5-7-19(15)24)14-20-25(2)23-21(28-20)16-8-10-17(11-9-16)22(26)27-3;1-5-6(2,3)4/h4-14H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: Sodium 5-(1-ethylpyridin-4(1H)-ylidene)-4-oxo-2-thioxothiazolidin-3-acetate
cas: 85050-07-3
dtxsid: DTXSID10234112
formula: C12H12N2O3S2
inchikey: VNXVHNFCGVXGDY-UHFFFAOYSA-M
norman_susdat_id: NS00060368
pubchem_cid: 11970892
smiles: [Na+].O=C([O-])CN1C(=O)C(SC1=S)=C2C=CN(C=C2)CC
inchi:
InChI=1/C12H12N2O3S2.Na/c1-2-13-5-3-8(4-6-13)10-11(17)14(7-9(15)16)12(18)19-10;/h3-6H,2,7H2,1H3,(H,15,16);/q;+1/p-1


name: 1,1'-[oxybis(ethyleneoxyethylene)]dipyridinium bis(toluene-p-sulphonate)
cas: 85050-09-5
dtxsid: DTXSID70234113
formula: C18H26N2O3
inchikey: PSVZOTISEVMEGP-UHFFFAOYSA-L
norman_susdat_id: NS00059508
pubchem_cid: 44150088
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.O=S(=O)([O-])C1=CC=C(C=C1)C.O(CCOCC[N+]=1C=CC=CC1)CCOCC[N+]=2C=CC=CC2
inchi:
InChI=1/C18H26N2O3.2C7H8O3S/c1-3-7-19(8-4-1)11-13-21-15-17-23-18-16-22-14-12-20-9-5-2-6-10-20;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-10H,11-18H2;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2


name: [3,3-bis[(1,5-dimethyl-1-vinyl-4-hexenyl)oxy]propyl]benzene
cas: 85050-10-8
dtxsid: DTXSID301005420
formula: C29H44O2
inchikey: AKQBPDWFCDLKKL-UHFFFAOYSA-N
norman_susdat_id: NS00058080
pubchem_cid: 3020316
smiles: O(C(OC(C=C)(C)CCC=C(C)C)CCC=1C=CC=CC1)C(C=C)(C)CCC=C(C)C
inchi:
InChI=1/C29H44O2/c1-9-28(7,22-14-16-24(3)4)30-27(21-20-26-18-12-11-13-19-26)31-29(8,10-2)23-15-17-25(5)6/h9-13,16-19,27H,1-2,14-15,20-23H2,3-8H3


name: (Z,Z)-N,N'-hexane-1,6-diyldidocos-13-enamide
cas: 85050-13-1
formula: C50H96N2O2
inchikey: NLELJFDXXCCGFZ-CLFAGFIQSA-N
norman_susdat_id: NS00058081
pubchem_cid: 44148786
smiles: O=C(NCCCCCCNC(=O)CCCCCCCCCCCC=CCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C50H96N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-45-49(53)51-47-43-39-40-44-48-52-50(54)46-42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-48H2,1-2H3,(H,51,53)(H,52,54)


name: DICHLOROPHENYL IMI- DAZOLDIOXOLAN
cas: 85058-43-1
chemspiderid: 7983676
formula: C27H30Cl2N4O5
inchikey: VEVFSWCSRVJBSM-UHFFFAOYSA-N
norman_susdat_id: NS00013575
pubchem_cid: 9807917
smiles: CCOC(=O)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2
inchi:
InChI=1S/C27H30Cl2N4O5/c1-2-35-26(34)33-13-11-32(12-14-33)21-4-6-22(7-5-21)36-16-23-17-37-27(38-23,18-31-10-9-30-19-31)24-8-3-20(28)15-25(24)29/h3-10,15,19,23H,2,11-14,16-18H2,1H3/t23-,27-/m0/s1


name: Alogliptin
cas: 850649-61-5
chebiid: CHEBI:72323
dtxsid: DTXSID90234130
formula: C18H21N5O2
inchikey: ZSBOMTDTBDDKMP-OAHLLOKOSA-N
norman_susdat_id: NS00071194
pubchem_cid: 11450633
smiles: Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
inchi:
InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1


name: 11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-undec-10-enoate
cas: 85068-43-5
dtxsid: DTXSID001005433
formula: C32H48O6
inchikey: ODTBRLYUJAOLAZ-RXBLAQSTSA-N
norman_susdat_id: NS00059532
pubchem_cid: 44146675
smiles: O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)CCCCCCCCC=C
inchi:
InChI=1/C32H48O6/c1-4-5-6-7-8-9-10-11-12-28(36)38-21-27(35)32(37)18-16-25-24-14-13-22-19-23(33)15-17-30(22,2)29(24)26(34)20-31(25,32)3/h4,19,24-26,29,34,37H,1,5-18,20-21H2,2-3H3


name: Bis(2-ethoxyphenyl) carbonate
cas: 85068-49-1
chemspiderid: 2287247
dtxsid: DTXSID80234144
formula: C17H18O5
inchikey: LTAICIIOZBYBTN-UHFFFAOYSA-N
norman_susdat_id: NS00038753
pubchem_cid: 3020321
smiles: CCOc1ccccc1OC(=O)Oc1ccccc1OCC
inchi:
InChI=1S/C17H18O5/c1-3-19-13-9-5-7-11-15(13)21-17(18)22-16-12-8-6-10-14(16)20-4-2/h5-12H,3-4H2,1-2H3


name: 20-Hydroxy-3,6,9,12,15,18-hexaoxaicos-1-yl undec-10-enoate
cas: 85068-51-5
chemspiderid: 21164570
dtxsid: DTXSID00234146
formula: C25H48O9
inchikey: FSUNBVHKEPRZEA-UHFFFAOYSA-N
norman_susdat_id: NS00038754
pubchem_cid: 44153140
smiles: OCCOCCOCCOCCOCCOCCOCCOC(=O)CCCCCCCCC=C
inchi:
InChI=1S/C25H48O9/c1-2-3-4-5-6-7-8-9-10-25(27)34-24-23-33-22-21-32-20-19-31-18-17-30-16-15-29-14-13-28-12-11-26/h2,26H,1,3-24H2


name: 3,6,9,12,15,18-Hexaoxaicosane-1,20-diyl di(undec-10-enoate)
cas: 85068-52-6
chemspiderid: 21164571
dtxsid: DTXSID60234147
formula: C36H66O10
inchikey: IFTBBSBRIXUVBU-UHFFFAOYSA-N
norman_susdat_id: NS00038755
pubchem_cid: 44148264
smiles: C=CCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOC(=O)CCCCCCCCC=C
inchi:
InChI=1S/C36H66O10/c1-3-5-7-9-11-13-15-17-19-35(37)45-33-31-43-29-27-41-25-23-39-21-22-40-24-26-42-28-30-44-32-34-46-36(38)20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-34H2


cas: 85068-59-3
formula: C30H20Cl2N6O17S5
inchikey: VOMRAMAPLYGCTN-UHFFFAOYSA-N
norman_susdat_id: NS00058551
pubchem_cid: 86045232
name:
3-[(4-amino-2,5-disulphophenyl)amino]-10-[(4-amino-3-sulphophenyl)amino]-6,13-dichlorotriphenodioxazine-4,11-disulphonic acid

inchi:
InChI=1/C30H20Cl2N6O17S5/c31-21-24-28(55-26-14(38-24)4-6-16(30(26)60(51,52)53)36-17-9-19(57(42,43)44)12(34)8-20(17)58(45,46)47)22(32)23-27(21)54-25-13(37-23)3-5-15(29(25)59(48,49)50)35-10-1-2-11(33)18(7-10)56(39,40)41/h1-9,35-36H,33-34H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)

smiles:
O=S(=O)(O)C1=CC(=CC=C1N)NC2=CC=C3N=C4C(Cl)=C5OC6=C(N=C5C(Cl)=C4OC3=C2S(=O)(=O)O)C=CC(NC7=CC(=C(N)C=C7S(=O)(=O)O)S(=O)(=O)O)=C6S(=O)(=O)O


cas: 85068-60-6
formula: C27H25N6O12PS2
inchikey: LQERYFZJCYQFLI-UHFFFAOYSA-M
norman_susdat_id: NS00058552
pubchem_cid: NA
name:
Ammonium sodium 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.H3N.Na/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);1H3;/q;;+1/p-1

smiles:
[Na+].O=C(N)C=1C(=O)N(C(O)=C(N=NC2=CC=C(N=NC3=CC=CC(=C3)P(=O)(O)O)C=C2S(=O)(=O)[O-])C1C)CCC4=CC=C(C=C4)S(=O)(=O)[O-].[NH4+]


name: Ammonium sodium 6-acetamido-4-hydroxy-3-[(3-phosphonatophenyl)azo]naphthalene-2-sulphonate
cas: 85068-63-9
formula: C18H16N3O8PS
inchikey: ZVIVARYJWZUNAY-UHFFFAOYSA-L
norman_susdat_id: NS00058110
pubchem_cid: 3020324
smiles: [Na+].O=C(NC1=CC=C2C=C(C(N=NC3=CC=CC(=C3)P(=O)([O-])[O-])=C(O)C2=C1)S(=O)(=O)[O-])C.[NH4+]
inchi:
InChI=1/C18H16N3O8PS.H3N.Na/c1-10(22)19-12-6-5-11-7-16(31(27,28)29)17(18(23)15(11)9-12)21-20-13-3-2-4-14(8-13)30(24,25)26;;/h2-9,23H,1H3,(H,19,22)(H2,24,25,26)(H,27,28,29);1H3;/q;;+1/p-2


name: Calcium(2+) 4-[(octadecylamino)carbonyl]benzoate
cas: 85068-65-1
formula: C26H43NO3.1/2Ca
inchikey: WFIRISZSTMRUBK-UHFFFAOYSA-L
norman_susdat_id: NS00089867
smiles: [Ca+2].CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)[O-].CCCCCCCCCCCCCCCCCCNC(=O)c2ccc(cc2)C(=O)[O-]
inchi:
InChI=1/2C26H43NO3.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(28)23-18-20-24(21-19-23)26(29)30;/h2*18-21H,2-17,22H2,1H3,(H,27,28)(H,29,30);/q;;+2/p-2


cas: 85068-67-3
formula: C27H33N2.C5H7O4
inchikey: RDRLHJPORORUPU-UHFFFAOYSA-L
norman_susdat_id: NS00089868
smiles: CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.[O-]C(=O)CCCC(=O)[O-]
name:
[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydrogen glutarate

inchi:
InChI=1/C27H33N2.C5H8O4/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4;6-4(7)2-1-3-5(8)9/h9-21H,5-8H2,1-4H3;1-3H2,(H,6,7)(H,8,9)/q+1;/p-2


name: 2-((3-(Dodecyloxy)propyl)(2-(2-hydroxyethoxy)ethyl)amino)ethanol
cas: 85068-68-4
chemspiderid: 2287248
dtxsid: DTXSID50234151
formula: C21H45N1O4
inchikey: KKUDUPMJXGXXKK-UHFFFAOYSA-N
norman_susdat_id: NS00038756
pubchem_cid: 3020326
smiles: CCCCCCCCCCCCOCCCN(CCO)CCOCCO
inchi:
InChI=1S/C21H45NO4/c1-2-3-4-5-6-7-8-9-10-11-18-25-19-12-13-22(14-16-23)15-20-26-21-17-24/h23-24H,2-21H2,1H3


name: (1Z)-N-Ethyloctadec-9-enimidate
cas: 85075-82-7
chemspiderid: 21467509
dtxsid: DTXSID50703034
formula: C20H39N1O1
inchikey: JZJYYCFYGXPUMF-QXMHVHEDSA-N
norman_susdat_id: NS00016768
pubchem_cid: 44270319
smiles: CCCCCCCCC=CCCCCCCCC(=O)NCC
inchi:
InChI=1S/C20H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-4-2/h11-12H,3-10,13-19H2,1-2H3,(H,21,22)/b12-11-


name: N,N-dibenzyl-3'-(2-methylpropyl)-2,2'-spirobi[2H-1-benzopyran]-7-amine
cas: 85079-76-1
dtxsid: DTXSID101005450
formula: C35H33NO2
inchikey: HZAVOHHFAYZZPH-UHFFFAOYSA-N
norman_susdat_id: NS00058568
pubchem_cid: 206002
smiles: O1C=2C=CC=CC2C=C(CC(C)C)C13OC=4C=C(C=CC4C=C3)N(CC=5C=CC=CC5)CC=6C=CC=CC6
inchi:
InChI=1/C35H33NO2/c1-26(2)21-31-22-30-15-9-10-16-33(30)37-35(31)20-19-29-17-18-32(23-34(29)38-35)36(24-27-11-5-3-6-12-27)25-28-13-7-4-8-14-28/h3-20,22-23,26H,21,24-25H2,1-2H3


cas: 85080-82-6
formula: C27H39NO4
inchikey: KNDFXYGKWIQXNP-ZGPFIDFOSA-N
norman_susdat_id: NS00058569
pubchem_cid: 11091481
smiles: OC(C)(C1CC23CCC1(OC)C4OC=5C(OC)=CC=C6C5C43CCN(C)C2C6)C(C)(C)C
name:
(5a,7a)-a-tert-butyl-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-a,17-dimethyl-6,14-ethenomorphinan-7-methanol

inchi:
InChI=1/C27H39NO4/c1-23(2,3)24(4,29)18-15-25-10-11-27(18,31-7)22-26(25)12-13-28(5)19(25)14-16-8-9-17(30-6)21(32-22)20(16)26/h8-9,18-19,22,29H,10-15H2,1-7H3


cas: 85080-83-7
formula: C25H35NO4
inchikey: YOYLLRBMGQRFTN-SMCOLXIQSA-N
norman_susdat_id: NS00089870
smiles: CO[C@]12CC[C@@]3(C[C@@H]1C(C)(O)C(C)(C)C)[C@H]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4)c56
name:
(5a,7a)-a-tert-butyl-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-a-methyl-6,14-ethenomorphinan-7-methanol

inchi:
InChI=1/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3


name: Tridecyl hydrogen 2-dodecenylsuccinate
cas: 85081-53-4
formula: C29H54O4
inchikey: YEEUVTPIQOIRJH-UHFFFAOYSA-M
norman_susdat_id: NS00058127
pubchem_cid: NA
smiles: O=C([O-])CC(C(=O)OCCCCCCCCCCCCC)CC=CCCCCCCCCC
inchi:
InChI=1/C29H54O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-29(32)27(26-28(30)31)24-22-20-18-16-14-12-10-8-6-4-2/h20,22,27H,3-19,21,23-26H2,1-2H3,(H,30,31)/p-1


name: Ammonium O,O-bis(dimethylphenyl) dithiophosphate
cas: 85081-54-5
chemspiderid: 21164580
dtxsid: DTXSID10234172
formula: C16H19O2P1S2
inchikey: QKONPSJUWRHZJU-UHFFFAOYSA-N
norman_susdat_id: NS00038757
pubchem_cid: 44147475
smiles: [NH4+].Cc1c(C)c(OP(=S)([S-])Oc2cccc(C)c2C)ccc1
inchi:
InChI=1S/C16H19O2PS2/c1-11-7-5-9-15(13(11)3)17-19(20,21)18-16-10-6-8-12(2)14(16)4/h5-10H,1-4H3,(H,20,21)


name: Tetrasodium 8,8'-[cyclohexylidenebis(4,1-phenyleneazo)]bis[7-hydroxynaphthalene-1,3-disulphonate]
cas: 85098-59-5
formula: C38H32N4O14S4
inchikey: RUGQEAFTXGKIHH-UHFFFAOYSA-J
norman_susdat_id: NS00058610
pubchem_cid: NA
inchi:
InChI=1/C38H32N4O14S4.4Na/c43-30-14-4-22-18-28(57(45,46)47)20-32(59(51,52)53)34(22)36(30)41-39-26-10-6-24(7-11-26)38(16-2-1-3-17-38)25-8-12-27(13-9-25)40-42-37-31(44)15-5-23-19-29(58(48,49)50)21-33(35(23)37)60(54,55)56;;;;/h4-15,18-21,43-44H,1-3,16-17H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(O)C(N=NC3=CC=C(C=C3)C4(C5=CC=C(N=NC=6C(O)=CC=C7C=C(C=C(C76)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C5)CCCCC4)=C2C(=C1)S(=O)(=O)[O-]


cas: 85098-60-8
formula: C42H26N2O24S6
inchikey: YXTMPLYNLJSZKN-UHFFFAOYSA-H
norman_susdat_id: NS00058611
pubchem_cid: NA
name:
Hexapotassium 16,23-dihydronaphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexyl hexasulphate

inchi:
InChI=1/C42H26N2O24S6.6K/c45-69(46,47)63-20-11-9-17-15-26-18(13-19(17)14-20)10-12-25-29-32-31-28(64-70(48,49)50)16-27-30(40(66-72(54,55)56)22-6-2-1-5-21(22)39(27)65-71(51,52)53)37(31)44-38(32)34-33(36(29)43-35(25)26)41(67-73(57,58)59)23-7-3-4-8-24(23)42(34)68-74(60,61)62;;;;;;/h1-7,9-15,28,44H,8,16H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].O=S(=O)([O-])OC=1C=CC2=CC3=C(C=CC4=C3N=C5C6=C(OS(=O)(=O)[O-])C7=CC=CCC7=C(OS(=O)(=O)[O-])C6=C8NC=9C%10=C(OS(=O)(=O)[O-])C=%11C=CC=CC%11C(OS(=O)(=O)[O-])=C%10CC(OS(=O)(=O)[O-])C9C8=C54)C=C2C1


name: Sodium 2-[[4-(benzylethylamino)-m-tolyl]azo]benzothiazole-5-sulphonate
cas: 85098-61-9
formula: C23H22N4O3S2
inchikey: HADRWBLRTQKGOR-UHFFFAOYSA-M
norman_susdat_id: NS00058156
pubchem_cid: 21149621
smiles: [Na+].O=S(=O)([O-])C=1C=CC=2SC(N=NC3=CC=C(C(=C3)C)N(CC=4C=CC=CC4)CC)=NC2C1
inchi:
InChI=1/C23H22N4O3S2.Na/c1-3-27(15-17-7-5-4-6-8-17)21-11-9-18(13-16(21)2)25-26-23-24-20-14-19(32(28,29)30)10-12-22(20)31-23;/h4-14H,3,15H2,1-2H3,(H,28,29,30);/q;+1/p-1


name: 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid
cas: 85098-64-2
chemspiderid: 39690
dtxsid: DTXSID60234187
formula: C19H22N2O2
inchikey: YFSCBWDAVTYIMM-UHFFFAOYSA-N
norman_susdat_id: NS00038759
pubchem_cid: NA
smiles: OC(=O)C1(CCN(Cc2ccccc2)CC1)Nc1ccccc1
inchi:
InChI=1S/C19H22N2O2/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16/h1-10,20H,11-15H2,(H,22,23)


name: 2,4-dihydro-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-1,2,4-triazol-3-one, sodium salt
cas: 85098-66-4
formula: C19H21N5O2.Na
inchikey: ZUGMQULZELEWQH-UHFFFAOYSA-N
norman_susdat_id: NS00089537
smiles: [Na+].COc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)N4C=NNC4=O
inchi:
InChI=1/C19H21N5O2.Na/c1-26-18-8-6-16(7-9-18)23-12-10-22(11-13-23)15-2-4-17(5-3-15)24-14-20-21-19(24)25;/h2-9,14H,10-13H2,1H3,(H,21,25);/q;+1


name: 2,4-dihydro-4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-1,2,4-triazol-3-one, potassium salt
cas: 85098-67-5
formula: C19H21N5O2.K
inchikey: CAMAXMXFRVQHJT-UHFFFAOYSA-N
norman_susdat_id: NS00090011
smiles: [K+].COc1ccc(cc1)N2CCN(CC2)c3ccc(cc3)N4C=NNC4=O
inchi:
InChI=1/C19H21N5O2.K/c1-26-18-8-6-16(7-9-18)23-12-10-22(11-13-23)15-2-4-17(5-3-15)24-14-20-21-19(24)25;/h2-9,14H,10-13H2,1H3,(H,21,25);/q;+1


name: Methyl N-(3-methoxy-3-oxopropyl)-N-(2-(4-methoxyphenyl)ethyl)-beta-alaninate
cas: 85098-69-7
chemspiderid: 21164586
dtxsid: DTXSID10234192
formula: C17H25N1O5
inchikey: JUYUUZVXPTVXKA-UHFFFAOYSA-N
norman_susdat_id: NS00038760
pubchem_cid: 56842277
smiles: COC(=O)CCN(CCC(=O)OC)CCc1ccc(OC)cc1
inchi:
InChI=1S/C17H25NO5/c1-21-15-6-4-14(5-7-15)8-11-18(12-9-16(19)22-2)13-10-17(20)23-3/h4-7H,8-13H2,1-3H3


name: Methyl (2-(((2-hydroxyethyl)amino)carbonyl)phenyl)-carbamate
cas: 85098-72-2
chemspiderid: 2287255
dtxsid: DTXSID90234195
formula: C11H14N2O4
inchikey: PEJQHMBMVSONRN-UHFFFAOYSA-N
norman_susdat_id: NS00038763
pubchem_cid: 16205568
smiles: COC(=O)Nc1ccccc1C(=O)NCCO
inchi:
InChI=1S/C11H14N2O4/c1-17-11(16)13-9-5-3-2-4-8(9)10(15)12-6-7-14/h2-5,14H,6-7H2,1H3,(H,12,15)(H,13,16)


name: Methyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate
cas: 85098-73-3
chemspiderid: 2287256
dtxsid: DTXSID50234196
formula: C11H13Cl1N2O3
inchikey: JWVQGOOQLBZENQ-UHFFFAOYSA-N
norman_susdat_id: NS00038764
pubchem_cid: 3020335
smiles: COC(=O)Nc1c(cccc1)C(=O)NCCCl
inchi:
InChI=1S/C11H13ClN2O3/c1-17-11(16)14-9-5-3-2-4-8(9)10(15)13-7-6-12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)


name: Methyl 4-carbamoyl-4-(phenylamino)piperidine-1-carboxylate
cas: 85098-76-6
chemspiderid: 2287259
dtxsid: DTXSID30234199
formula: C14H19N3O3
inchikey: SUAURJQKXAYYPZ-UHFFFAOYSA-N
norman_susdat_id: NS00038767
pubchem_cid: 3020338
smiles: COC(=O)N1CCC(CC1)(Nc1ccccc1)C(=O)N
inchi:
InChI=1S/C14H19N3O3/c1-20-13(19)17-9-7-14(8-10-17,12(15)18)16-11-5-3-2-4-6-11/h2-6,16H,7-10H2,1H3,(H2,15,18)


name: Methyl 4-(carbamoyl)-4-((4-fluorophenyl)amino)piperidine-1-carboxylate
cas: 85098-77-7
chemspiderid: 2287260
dtxsid: DTXSID80234200
formula: C14H18F1N3O3
inchikey: GFVBHYAVXRMSIU-UHFFFAOYSA-N
norman_susdat_id: NS00038768
pubchem_cid: 3020339
smiles: COC(=O)N1CCC(CC1)(Nc1ccc(F)cc1)C(=O)N
inchi:
InChI=1S/C14H18FN3O3/c1-21-13(20)18-8-6-14(7-9-18,12(16)19)17-11-4-2-10(15)3-5-11/h2-5,17H,6-9H2,1H3,(H2,16,19)


name: Disodium 2-[1-ethyl-3-(2-methyl-4-nitrophenyl)-2-triazenyl]-5-sulphonatobenzoate
cas: 85098-83-5
dtxsid: DTXSID501005464
formula: C16H17N4O7S
inchikey: VLNCJXZCVKRHHM-UHFFFAOYSA-L
norman_susdat_id: NS00058931
pubchem_cid: 57354444
smiles: [Na+].[Na+].O=C([O-])C1=CC(=CC=C1N(N=NC2=CC=C(C=C2C)[N+](=O)[O-])CC)S(=O)(=O)[O-]
inchi:
InChI=1/C16H16N4O7S.2Na/c1-3-19(18-17-14-6-4-11(20(23)24)8-10(14)2)15-7-5-12(28(25,26)27)9-13(15)16(21)22;;/h4-9H,3H2,1-2H3,(H,21,22)(H,25,26,27);;/q;2*+1/p-2


name: 4-[(m-tolyl)azo]-m-toluidinium sulphate (2:1)
cas: 85098-87-9
formula: C14H15N3.1/2H2O4S
inchikey: JAIFBYGYIBWWOC-UHFFFAOYSA-N
norman_susdat_id: NS00090023
smiles: [O-]S([O-])(=O)=O.Cc1cc(ccc1)N=Nc2ccc([NH3+])cc2C.Cc2cc(N=Nc1ccc([NH3+])cc1C)ccc2
inchi:
InChI=1/2C14H15N3.H2O4S/c2*1-10-4-3-5-13(8-10)16-17-14-7-6-12(15)9-11(14)2;1-5(2,3)4/h2*3-9H,15H2,1-2H3;(H2,1,2,3,4)


name: [[(3-butoxypropyl)imino]bis(methylene)]bisphosphonic acid
cas: 85098-96-0
dtxsid: DTXSID20234204
formula: C9H23NO7P2
inchikey: LVOJNULPXOXYRA-UHFFFAOYSA-N
norman_susdat_id: NS00058952
pubchem_cid: 56842386
smiles: O=P(O)(O)CN(CCCOCCCC)CP(=O)(O)O
inchi:
InChI=1/C9H23NO7P2/c1-2-3-6-17-7-4-5-10(8-18(11,12)13)9-19(14,15)16/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16)


name: 1-[2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl] dihydrogen benzene-1,2,4-tricarboxylate
cas: 85098-97-1
dtxsid: DTXSID001005471
formula: C30H46O9
inchikey: FYBRATJWVPMOTD-UHFFFAOYSA-N
norman_susdat_id: NS00058430
pubchem_cid: 56842387
smiles: O=C(O)C1=CC=C(C(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC)C(=C1)C(=O)O
inchi:
InChI=1/C30H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(32)38-21-24(31)22-39-30(37)25-19-18-23(28(33)34)20-26(25)29(35)36/h18-20,24,31H,2-17,21-22H2,1H3,(H,33,34)(H,35,36)


name: 1-Docosyl dihydrogen benzene-1,2,4-tricarboxylate
cas: 85098-98-2
chemspiderid: 21164594
dtxsid: DTXSID80234205
formula: C31H50O6
inchikey: BVHZVLKWODIZIW-UHFFFAOYSA-N
norman_susdat_id: NS00038771
pubchem_cid: 56842388
smiles: CCCCCCCCCCCCCCCCCCCCCCOC(=O)c1c(cc(cc1)C(=O)O)C(=O)O
inchi:
InChI=1S/C31H50O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-37-31(36)27-23-22-26(29(32)33)25-28(27)30(34)35/h22-23,25H,2-21,24H2,1H3,(H,32,33)(H,34,35)


name: [(2-hydroxytetradecyl)sulphinyl]acetic acid
cas: 85099-07-6
dtxsid: DTXSID601005479
formula: C16H32O4S
inchikey: QEPDPIFEHYSLMP-UHFFFAOYSA-N
norman_susdat_id: NS00058431
pubchem_cid: 3020347
smiles: O=C(O)CS(=O)CC(O)CCCCCCCCCCCC
inchi:
InChI=1/C16H32O4S/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-21(20)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)


name: 3-[(2-hydroxytetradecyl)thio]propionic acid
cas: 85099-08-7
dtxsid: DTXSID901005480
formula: C17H34O3S
inchikey: BDJVDTNFHGGXPZ-UHFFFAOYSA-N
norman_susdat_id: NS00058955
pubchem_cid: 3020348
smiles: O=C(O)CCSCC(O)CCCCCCCCCCCC
inchi:
InChI=1/C17H34O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16(18)15-21-14-13-17(19)20/h16,18H,2-15H2,1H3,(H,19,20)


name: 3-[(2-hydroxytetradecyl)sulphinyl]propionic acid
cas: 85099-09-8
dtxsid: DTXSID601005481
formula: C17H34O4S
inchikey: YWKGUDHHIUFKAS-UHFFFAOYSA-N
norman_susdat_id: NS00059852
pubchem_cid: 3020349
smiles: O=C(O)CCS(=O)CC(O)CCCCCCCCCCCC
inchi:
InChI=1/C17H34O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16(18)15-22(21)14-13-17(19)20/h16,18H,2-15H2,1H3,(H,19,20)


name: Bis(2-hydroxyhexadecyl) hydrogen phosphate
cas: 85099-11-2
formula: C32H67O6P
inchikey: XDMARPMWIHTFGV-UHFFFAOYSA-N
norman_susdat_id: NS00058956
pubchem_cid: 125079
smiles: O=P(O)(OCC(O)CCCCCCCCCCCCCC)OCC(O)CCCCCCCCCCCCCC
inchi:
InChI=1/C32H67O6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(33)29-37-39(35,36)38-30-32(34)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-34H,3-30H2,1-2H3,(H,35,36)


name: Bis(2-hydroxyoctadecyl) hydrogen phosphate
cas: 85099-12-3
dtxsid: DTXSID301005482
formula: C36H75O6P
inchikey: MWYSDMPRHDTUPB-UHFFFAOYSA-N
norman_susdat_id: NS00058934
pubchem_cid: 16205571
smiles: O=P(O)(OCC(O)CCCCCCCCCCCCCCCC)OCC(O)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C36H75O6P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(37)33-41-43(39,40)42-34-36(38)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38H,3-34H2,1-2H3,(H,39,40)


name: Ethyl a-cyanodecahydro-4,8,8-trimethyl-1,4-methanoazulene-9-propionate
cas: 85099-14-5
dtxsid: DTXSID701005484
formula: C20H31NO2
inchikey: VJKTYQFKYNDHCW-UHFFFAOYSA-N
norman_susdat_id: NS00058935
pubchem_cid: 56842443
smiles: N#CC(C(=O)OCC)CC1C2CCC3C2C(C)(C)CCCC31C
inchi:
InChI=1/C20H31NO2/c1-5-23-18(22)13(12-21)11-16-14-7-8-15-17(14)19(2,3)9-6-10-20(15,16)4/h13-17H,5-11H2,1-4H3


cas: 85099-19-0
chemspiderid: 10144277
dtxsid: DTXSID60234208
formula: C36H63Cl2N11O3
inchikey: FCOVUJOIIADTQB-UHFFFAOYSA-N
norman_susdat_id: NS00038774
pubchem_cid: 11970896
smiles: COCCCN(C1CC(C)(C)NC(C)(C)C1)c1nc(nc(Cl)n1)N(CCCOC)c1nc(nc(Cl)n1)N(CCCOC)C1CC(C)(C)NC(C)(C)C1
name:
6-Chloro-N-(4-chloro-6-((3-methoxypropyl)(2,2,6,6-tetramethylpiperidin-4-yl)amino)-1,3,5-triazin-2-yl)-N,N'-bis(3-methoxypropyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

inchi:
InChI=1S/C36H63Cl2N11O3/c1-33(2)21-25(22-34(3,4)45-33)47(15-12-18-50-9)29-39-27(37)41-31(43-29)49(17-14-20-52-11)32-42-28(38)40-30(44-32)48(16-13-19-51-10)26-23-35(5,6)46-36(7,8)24-26/h25-26,45-46H,12-24H2,1-11H3


cas: 85099-24-7
dtxsid: DTXSID201005489
formula: C26H53Cl6N5O6
inchikey: HJWVJBQBDAWYPY-UHFFFAOYSA-N
norman_susdat_id: NS00059907
pubchem_cid: 53421455
smiles: ClCC(O)CNCCN(CCN(CCN(CCN(CC(O)CCl)CC(O)CCl)CC(O)CCl)CC(O)CCl)CC(O)CCl
name:
1,19-dichloro-7,10,13,16-tetrakis(3-chloro-2-hydroxypropyl)-4,7,10,13,16-pentaazanonadecane-2,18-diol

inchi:
InChI=1/C26H53Cl6N5O6/c27-9-21(38)15-33-1-2-34(16-22(39)10-28)3-4-35(17-23(40)11-29)5-6-36(18-24(41)12-30)7-8-37(19-25(42)13-31)20-26(43)14-32/h21-26,33,38-43H,1-20H2


name: 2-chloro-5-methoxy-4-(2-pyridylamino)benzenediazonium hexafluorophosphate
cas: 85099-27-0
formula: C12H10ClN4O.F6P
inchikey: FBFVLFJYBJMVHR-UHFFFAOYSA-N
norman_susdat_id: NS00089375
smiles: COc1cc([N+]#N)c(Cl)cc1Nc2ccccn2.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C12H10ClN4O.F6P/c1-18-11-7-9(17-14)8(13)6-10(11)16-12-4-2-3-5-15-12;1-7(2,3,4,5)6/h2-7H,1H3,(H,15,16);/q+1;-1


name: 4-[bis(benzyl)amino]-3-ethoxybenzenediazonium hexafluorophosphate
cas: 85099-29-2
formula: C22H22N3O.F6P
inchikey: XXHWLTHTARBRNF-UHFFFAOYSA-N
norman_susdat_id: NS00089376
smiles: CCOc1cc(ccc1N(Cc2ccccc2)Cc3ccccc3)[N+]#N.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C22H22N3O.F6P/c1-2-26-22-15-20(24-23)13-14-21(22)25(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19;1-7(2,3,4,5)6/h3-15H,2,16-17H2,1H3;/q+1;-1


name: 4-(Benzoylamino)-2,5-dibutoxybenzenediazonium tetrafluoroborate
cas: 85099-30-5
chemspiderid: 17333773
dtxsid: DTXSID10234213
formula: C21H26N3O3
inchikey: WYQKIWNFYBKSBJ-UHFFFAOYSA-O
norman_susdat_id: NS00038776
pubchem_cid: 16205576
smiles: F[B-](F)(F)F.CCCCOc1cc([N+]#N)c(OCCCC)cc1NC(=O)c1ccccc1
inchi:
InChI=1S/C21H25N3O3/c1-3-5-12-26-19-15-18(24-22)20(27-13-6-4-2)14-17(19)23-21(25)16-10-8-7-9-11-16/h7-11,14-15H,3-6,12-13H2,1-2H3/p+1


name: 5-methoxy-4-(morpholin-4-yl)-2-[(p-tolyl)thio]benzenediazonium hexafluorophosphate
cas: 85099-31-6
formula: C18H20N3O2S.F6P
inchikey: JTAGJEJNNGMSPJ-UHFFFAOYSA-N
norman_susdat_id: NS00089581
smiles: COc1cc([N+]#N)c(Sc2ccc(C)cc2)cc1N3CCOCC3.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C18H20N3O2S.F6P/c1-13-3-5-14(6-4-13)24-18-12-16(21-7-9-23-10-8-21)17(22-2)11-15(18)20-19;1-7(2,3,4,5)6/h3-6,11-12H,7-10H2,1-2H3;/q+1;-1


cas: 85099-38-3
formula: C43H34N8O13S6
inchikey: AENZVHRMKJIIRE-UHFFFAOYSA-J
norman_susdat_id: NS00058996
pubchem_cid: NA
name:
Tetrasodium 2,2'-[carbonylbis[imino(2-methyl-p-phenylene)azo(3-sulphonato-p-phenylene)]]bis[6-methylbenzothiazole-7-sulphonate]

inchi:
InChI=1/C43H34N8O13S6.4Na/c1-21-5-13-33-37(39(21)69(59,60)61)65-41(44-33)29-11-7-27(19-35(29)67(53,54)55)50-48-25-9-15-31(23(3)17-25)46-43(52)47-32-16-10-26(18-24(32)4)49-51-28-8-12-30(36(20-28)68(56,57)58)42-45-34-14-6-22(2)40(38(34)66-42)70(62,63)64;;;;/h5-20H,1-4H3,(H2,46,47,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC2=CC=C(C3=NC4=CC=C(C(=C4S3)S(=O)(=O)[O-])C)C(=C2)S(=O)(=O)[O-])C=C1C)NC5=CC=C(N=NC6=CC=C(C7=NC8=CC=C(C(=C8S7)S(=O)(=O)[O-])C)C(=C6)S(=O)(=O)[O-])C=C5C


cas: 85099-39-4
dtxsid: DTXSID001005495
formula: C47H70N6O10S
inchikey: CQLSRQUODDPRRK-UHFFFAOYSA-N
norman_susdat_id: NS00058987
pubchem_cid: 14047909
name:
N-[2,5-diethoxy-4-[(methyloctadecylamino)sulphonyl]phenyl]-a-(2,4-dimethoxybenzoyl)-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetamide

inchi:
InChI=1/C47H70N6O10S/c1-9-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-50(4)64(58,59)40-32-38(62-10-2)36(31-39(40)63-11-3)49-45(55)41(43(54)35-28-27-34(60-7)30-37(35)61-8)53-33-48-44-42(53)46(56)52(6)47(57)51(44)5/h27-28,30-33,41H,9-26,29H2,1-8H3,(H,49,55)

smiles:
O=C1C2=C(N=CN2C(C(=O)NC3=CC(OCC)=C(C=C3OCC)S(=O)(=O)N(C)CCCCCCCCCCCCCCCCCC)C(=O)C4=CC=C(OC)C=C4OC)N(C(=O)N1C)C


cas: 85099-50-9
chemspiderid: 19603757
dtxsid: DTXSID0074633
formula: C39H72N2O4
inchikey: OLBWDGJTEXRJLY-UHFFFAOYSA-N
norman_susdat_id: NS00020354
pubchem_cid: 20768166
smiles: CCCCCCCCCCCCCCOC(=O)CCC1C2(CC(C)(C)NC1(C)C)OC1(CCCCCCCCCCC1)NC2=O
name:
7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, tetradecyl ester

inchi:
InChI=1S/C39H72N2O4/c1-6-7-8-9-10-11-12-13-17-20-23-26-31-44-34(42)28-27-33-37(4,5)41-36(2,3)32-39(33)35(43)40-38(45-39)29-24-21-18-15-14-16-19-22-25-30-38/h33,41H,6-32H2,1-5H3,(H,40,43)/t33-,39+/m0/s1


cas: 85099-51-0
chemspiderid: NA
dtxsid: DTXSID5074634
formula: C37H68N2O4
inchikey: FDCDWHGYQOJMTQ-UHFFFAOYSA-N
norman_susdat_id: NS00020355
pubchem_cid: 18963144
smiles: CCCCCCCCCCCCOC(=O)CCN1C(=O)C2(CC(C)(C)NC(C)(C)C2)OC11CCCCCCCCCCC1
name:
7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, dodecyl ester

inchi:
InChI=1S/C37H68N2O4/c1-6-7-8-9-10-11-15-18-21-24-29-42-32(40)25-28-39-33(41)36(30-34(2,3)38-35(4,5)31-36)43-37(39)26-22-19-16-13-12-14-17-20-23-27-37/h38H,6-31H2,1-5H3


name: Levomepromazine
cas: 851-68-3
chemspiderid: 3779
formula: C19H24N2O1S1
inchikey: VRQVVMDWGGWHTJ-UHFFFAOYSA-N
norman_susdat_id: NS00004047
pubchem_cid: 3916
smiles: COc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1
inchi:
InChI=1S/C19H24N2OS/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: N-Monodemethyldiltiazem
cas: 85100-17-0
chemspiderid: 97023
dtxsid: DTXSID40234221
formula: C20H22N2O3S1
inchikey: PHIXLZWDCQPHLA-MOPGFXCFSA-N
norman_susdat_id: NS00040983
pubchem_cid: 107891
smiles: CNCCN1c2ccccc2S[C@H]([C@@H](OC(C)=O)C1=O)c1ccccc1
inchi:
InChI=1S/C20H22N2O3S/c1-14(23)25-18-19(15-8-4-3-5-9-15)26-17-11-7-6-10-16(17)22(20(18)24)13-12-21-2/h3-11,18-19,21H,12-13H2,1-2H3/t18-,19+/m1/s1


name: 3-(1,1-dimethylethyl)-5-[[[(4-methylphenyl)sulphonyl]oxy]methyl]oxazolidin-2-one
cas: 85117-74-4
dtxsid: DTXSID501005507
formula: C15H21NO5S
inchikey: AMLLKTNBWNUPMG-UHFFFAOYSA-N
norman_susdat_id: NS00065525
pubchem_cid: 3020360
smiles: O=C1OC(COS(=O)(=O)C2=CC=C(C=C2)C)CN1C(C)(C)C
inchi:
InChI=1/C15H21NO5S/c1-11-5-7-13(8-6-11)22(18,19)20-10-12-9-16(14(17)21-12)15(2,3)4/h5-8,12H,9-10H2,1-4H3


cas: 85117-76-6
formula: C28H17N3O7S.Na
inchikey: KBTPDPYAQDNEIH-UHFFFAOYSA-M
norman_susdat_id: NS00092515
smiles: [Na+].Nc1ccc(NC2=CCC(N)(C3=C2C(=O)c4ccccc4C3=O)S(=O)(=O)[O-])c5C(=O)c6ccccc6C(=O)c15
name:
Sodium 1-amino-4-((4-amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)-9,10-dihydro-9,10-dioxoanthracenesulphonate

inchi:
InChI=1/C28H19N3O7S.Na/c29-17-9-10-18(21-20(17)24(32)13-5-1-2-6-14(13)25(21)33)31-19-11-12-28(30,39(36,37)38)23-22(19)26(34)15-7-3-4-8-16(15)27(23)35;/h1-11,31H,12,29-30H2,(H,36,37,38);/q;+1/p-1


cas: 85117-77-7
formula: C36H18Cl6N12O20S6.6Na
inchikey: KPTUJCCNIRXNLQ-UHFFFAOYSA-H
norman_susdat_id: NS00093181
name:
Hexasodium 6,13-dichloro-3,10-bis[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]disulphonatophenyl]amino]triphenodioxazine-4,11-disulphonate

inchi:
InChI=1/C36H18Cl6N12O20S6.6Na/c37-17-19-23(73-21-9(45-19)1-3-11(25(21)75(55,56)57)43-13-5-7-15(47-35-51-31(39)49-32(40)52-35)29(79(67,68)69)27(13)77(61,62)63)18(38)20-24(17)74-22-10(46-20)2-4-12(26(22)76(58,59)60)44-14-6-8-16(48-36-53-33(41)50-34(42)54-36)30(80(70,71)72)28(14)78(64,65)66;;;;;;/h1-8,43-44H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,47,49,51,52)(H,48,50,53,54);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1c(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2S(=O)(=O)[O-])S(=O)(=O)[O-])ccc4N=C5C(=C6Oc7c(ccc(Nc8ccc(Nc9nc(Cl)nc(Cl)n9)c(c8S(=O)(=O)[O-])S(=O)(=O)[O-])c7S(=O)(=O)[O-])N=C6C(=C5Oc14)Cl)Cl


cas: 85117-78-8
formula: C36H18Cl6N12O17S5.5Na
inchikey: GGQBQEJERSCVRO-UHFFFAOYSA-I
norman_susdat_id: NS00092516
name:
4,11-Triphenodioxazinedisulfonic acid, 6,13-dichloro-3-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]disulfophenyl]amino]-10-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]sulfophenyl]amino]-, pentasodium salt

inchi:
InChI=1/C36H18Cl6N12O17S5.5Na/c37-19-22-26(71-24-13(47-22)4-6-15(28(24)74(61,62)63)45-16-7-8-17(48-36-53-33(41)50-34(42)54-36)30(76(67,68)69)29(16)75(64,65)66)20(38)21-25(19)70-23-12(46-21)3-5-14(27(23)73(58,59)60)44-11-2-1-10(9-18(11)72(55,56)57)43-35-51-31(39)49-32(40)52-35;;;;;/h1-9,44-45H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,43,49,51,52)(H,48,50,53,54);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].Clc1nc(nc(Cl)n1)Nc9ccc(Nc2ccc3\N=C7/C(/Oc3c2S([O-])(=O)=O)=C(/Cl)\C6=N\c8ccc(Nc5ccc(Nc4nc(Cl)nc(Cl)n4)c(c5S([O-])(=O)=O)S([O-])(=O)=O)c(c8O/C6=C7\Cl)S([O-])(=O)=O)c(c9)S([O-])(=O)=O


name: 1-Hexadecylimidazolidine-2,4-dione
cas: 85117-82-4
chemspiderid: 2287278
dtxsid: DTXSID60234228
formula: C19H36N2O2
inchikey: DRKXRVWPYXYCMR-UHFFFAOYSA-N
norman_susdat_id: NS00038781
pubchem_cid: 3020363
smiles: CCCCCCCCCCCCCCCCN1CC(=O)NC1=O
inchi:
InChI=1S/C19H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-18(22)20-19(21)23/h2-17H2,1H3,(H,20,22,23)


name: 1-Octadecylimidazolidine-2,4-dione
cas: 85117-83-5
chemspiderid: 2287279
dtxsid: DTXSID20234229
formula: C21H40N2O2
inchikey: SMCUEMZWAQLBET-UHFFFAOYSA-N
norman_susdat_id: NS00038782
pubchem_cid: 3020364
smiles: CCCCCCCCCCCCCCCCCCN1CC(=O)NC1=O
inchi:
InChI=1S/C21H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-20(24)22-21(23)25/h2-19H2,1H3,(H,22,24,25)


name: (Z)-1-(9-octadecenyl)imidazolidine-2,4-dione
cas: 85117-84-6
formula: C21H38N2O2
inchikey: SQIFBRMDYIBIHY-KTKRTIGZSA-N
norman_susdat_id: NS00065133
pubchem_cid: 20836234
smiles: O=C1NC(=O)CN1CCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C21H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-20(24)22-21(23)25/h9-10H,2-8,11-19H2,1H3,(H,22,24,25)


name: 5-(2-Acetoxyacetyl)benzene-1,2,3-triyl triacetate
cas: 85117-87-9
chemspiderid: 87832
dtxsid: DTXSID50234232
formula: C16H16O9
inchikey: YBPOUYKRSJRDEC-UHFFFAOYSA-N
norman_susdat_id: NS00038784
pubchem_cid: 97308
smiles: CC(=O)OCC(=O)c1cc(OC(=O)C)c(OC(=O)C)c(OC(=O)C)c1
inchi:
InChI=1S/C16H16O9/c1-8(17)22-7-13(21)12-5-14(23-9(2)18)16(25-11(4)20)15(6-12)24-10(3)19/h5-6H,7H2,1-4H3


name: N,N'-hexane-1,6-diylbis[bis(2-hydroxypropyl)methylammonium] dichloride
cas: 85117-90-4
dtxsid: DTXSID901005509
formula: C20H44N2O4
inchikey: HPGOYHHNPWFYMT-UHFFFAOYSA-N
norman_susdat_id: NS00065526
pubchem_cid: NA
smiles: [Cl-].[Cl-].OC(C)CC(CC(O)C)[NH2+]CCCCCC[NH2+]C(CC(O)C)CC(O)C
inchi:
InChI=1/C20H44N2O4.2ClH/c1-15(23)11-19(12-16(2)24)21-9-7-5-6-8-10-22-20(13-17(3)25)14-18(4)26;;/h15-26H,5-14H2,1-4H3;2*1H


name: Ethylenebis[bis(2-hydroxypropyl)methylammonium] dichloride
cas: 85117-91-5
dtxsid: DTXSID201005510
formula: C16H36N2O4
inchikey: XWQPTEOZUWZQBV-UHFFFAOYSA-N
norman_susdat_id: NS00065527
pubchem_cid: NA
smiles: [Cl-].[Cl-].OC(C)CC(CC(O)C)[NH2+]CC[NH2+]C(CC(O)C)CC(O)C
inchi:
InChI=1/C16H36N2O4.2ClH/c1-11(19)7-15(8-12(2)20)17-5-6-18-16(9-13(3)21)10-14(4)22;;/h11-22H,5-10H2,1-4H3;2*1H


name: N,N'-hexane-1,6-diylbis[bis(2-hydroxyethyl)methylammonium] dichloride
cas: 85117-93-7
dtxsid: DTXSID90234236
formula: C16H36N2O4
inchikey: NHZWYZAJCXADCN-UHFFFAOYSA-N
norman_susdat_id: NS00065570
pubchem_cid: NA
smiles: [Cl-].[Cl-].OCCC(CCO)[NH2+]CCCCCC[NH2+]C(CCO)CCO
inchi:
InChI=1/C16H36N2O4.2ClH/c19-11-5-15(6-12-20)17-9-3-1-2-4-10-18-16(7-13-21)8-14-22;;/h15-22H,1-14H2;2*1H


name: DIOCTYLDODECYL ADI- PATE
cas: 85117-94-8
chemspiderid: 2287283
formula: C46H90O4
inchikey: WLFITRMCTPBSQS-UHFFFAOYSA-N
norman_susdat_id: NS00013602
pubchem_cid: 3020369
smiles: CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC
inchi:
InChI=1S/C46H90O4/c1-5-9-13-17-21-23-27-31-37-43(35-29-25-19-15-11-7-3)41-49-45(47)39-33-34-40-46(48)50-42-44(36-30-26-20-16-12-8-4)38-32-28-24-22-18-14-10-6-2/h43-44H,5-42H2,1-4H3


name: 9-(2-carboxyphenyl)-3,6-bis[(2,6-dimethylphenyl)amino]xanthylium chloride
cas: 85117-96-0
formula: C36H31N2O3.Cl
inchikey: VJDJDEIYZZPARR-UHFFFAOYSA-M
norman_susdat_id: NS00093184
smiles: [Cl-].Cc1cccc(C)c1Nc2ccc3c(c4ccccc4C(=O)O)c5ccc(Nc6c(C)cccc6C)cc5[o+]c3c2
inchi:
InChI=1/C36H30N2O3.ClH/c1-21-9-7-10-22(2)34(21)37-25-15-17-29-31(19-25)41-32-20-26(38-35-23(3)11-8-12-24(35)4)16-18-30(32)33(29)27-13-5-6-14-28(27)36(39)40;/h5-20,37-38H,1-4H3;1H


cas: 85117-97-1
dtxsid: DTXSID50888658
formula: C31H38N4O3
inchikey: OMSKQMSAXYSLLE-UHFFFAOYSA-N
norman_susdat_id: NS00065135
pubchem_cid: 174408
smiles: O=C1OC2(C3=CC=C(C=C3OC4=NC(=NC(=C42)C)N(CCCC)CCCC)N(CC)CC)C=5C=CC=CC15
name:
2-(dibutylamino)-8-(diethylamino)-4-methylspiro[5H-[1]benzopyrano[2,3-d]pyrimidine-5,1'(3'H)-isobenzofuran]-3'-one

inchi:
InChI=1/C31H38N4O3/c1-6-10-18-35(19-11-7-2)30-32-21(5)27-28(33-30)37-26-20-22(34(8-3)9-4)16-17-25(26)31(27)24-15-13-12-14-23(24)29(36)38-31/h12-17,20H,6-11,18-19H2,1-5H3


name: N-(2-ethylhexyl)-2-nitroaniline
cas: 85117-98-2
dtxsid: DTXSID90868858
formula: C14H23N2O2
inchikey: YFGJRQXFOUTWBF-UHFFFAOYSA-N
norman_susdat_id: NS00065136
pubchem_cid: 163440
smiles: O=[N+]([O-])C=1C=CC=CC1NCC(CC)CCCC
inchi:
InChI=1/C14H22N2O2/c1-3-5-8-12(4-2)11-15-13-9-6-7-10-14(13)16(17)18/h6-7,9-10,12,15H,3-5,8,11H2,1-2H3


cas: 85118-23-6
dtxsid: DTXSID701005515
formula: C22H24F4N2O
inchikey: BUCOJINYCJKMRH-UHFFFAOYSA-N
norman_susdat_id: NS00065575
pubchem_cid: 4913274
smiles: Cl.Cl.FC1=CC=C(C=C1)C2C3=CC=C(C=C3C(N4CCN(CCO)CC4)C2)C(F)(F)F
name:
trans-4-[3-(4-fluorophenyl)-2,3-dihydro-6-(trifluoromethyl)-1H-inden-1-yl]piperazine-1-ethanol dihydrochloride

inchi:
InChI=1/C22H24F4N2O.2ClH/c23-17-4-1-15(2-5-17)19-14-21(28-9-7-27(8-10-28)11-12-29)20-13-16(22(24,25)26)3-6-18(19)20;;/h1-6,13,19,21,29H,7-12,14H2;2*1H


cas: 85118-27-0
formula: C20H21FN2O.ClH
inchikey: FXSXPIKCGLXHAW-UHFFFAOYSA-N
norman_susdat_id: NS00093185
smiles: Cl.CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
name:
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile monohydrochloride

inchi:
InChI=1/C20H21FN2O.ClH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H


name: 9-(3-(Dimethylamino)propyl)-9,10-dihydro-10,10-dimethylanthracene-9-ol
cas: 85118-29-2
chemspiderid: 2287290
dtxsid: DTXSID20234249
formula: C21H27N1O1
inchikey: MGWVDTJIYUKWKX-UHFFFAOYSA-N
norman_susdat_id: NS00038786
pubchem_cid: 3020378
smiles: CN(C)CCCC1(O)c2c(cccc2)C(C)(C)c2c1cccc2
inchi:
InChI=1S/C21H27NO/c1-20(2)16-10-5-7-12-18(16)21(23,14-9-15-22(3)4)19-13-8-6-11-17(19)20/h5-8,10-13,23H,9,14-15H2,1-4H3


name: 3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-ol
cas: 85118-30-5
dtxsid: DTXSID501005519
formula: C16H12F4O
inchikey: NVYSLELQVQMWNA-UHFFFAOYSA-N
norman_susdat_id: NS00066348
pubchem_cid: 3020379
smiles: FC1=CC=C(C=C1)C2C3=CC=C(C=C3C(O)C2)C(F)(F)F
inchi:
InChI=1/C16H12F4O/c17-11-4-1-9(2-5-11)13-8-15(21)14-7-10(16(18,19)20)3-6-12(13)14/h1-7,13,15,21H,8H2


name: Ethyl 10-[(hydroxyamino)carbonyl]-1,4-dioxa-7-azaspiro[4.5]decane-7-carboxylate
cas: 85118-31-6
dtxsid: DTXSID801005520
formula: C11H18N2O6
inchikey: JHTKPBKBAXEUPX-UHFFFAOYSA-N
norman_susdat_id: NS00065140
pubchem_cid: 56842643
smiles: O=C(OCC)N1CCC(C(=O)NO)C2(OCCO2)C1
inchi:
InChI=1/C11H18N2O6/c1-2-17-10(15)13-4-3-8(9(14)12-16)11(7-13)18-5-6-19-11/h8,16H,2-7H2,1H3,(H,12,14)


cas: 85118-36-1
formula: C42H32N8O24S7
inchikey: AYDSAKUXHSNAJC-UHFFFAOYSA-G
norman_susdat_id: NS00065117
pubchem_cid: NA
name:
2,7-Naphthalenedisulfonic acid, 3-[[4-[2-[4-[[8-(acetylamino)-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]azo]-5-amino-4-hydroxy-6-[(4-sulfophenyl)azo]-, heptasodium salt

inchi:
InChI=1/C42H32N8O24S7.7Na/c1-19(51)44-29-18-28(76(57,58)59)12-22-13-33(80(69,70)71)39(41(52)35(22)29)49-46-25-6-4-20(30(16-25)77(60,61)62)2-3-21-5-7-26(17-31(21)78(63,64)65)47-50-40-34(81(72,73)74)15-23-14-32(79(66,67)68)38(37(43)36(23)42(40)53)48-45-24-8-10-27(11-9-24)75(54,55)56;;;;;;;/h2-18,52-53H,43H2,1H3,(H,44,51)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74);;;;;;;/q;7*+1/p-7

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC=C(C=CC4=CC=C(N=NC5=C(O)C=6C(C=C5S(=O)(=O)[O-])=CC(=C(N=NC7=CC=C(C=C7)S(=O)(=O)[O-])C6N)S(=O)(=O)[O-])C=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C


name: Tridocosyl phosphite
cas: 85118-41-8
dtxsid: DTXSID10234253
formula: C66H135O3P
inchikey: IYUQKHLKDBLAGZ-UHFFFAOYSA-N
norman_susdat_id: NS00065074
pubchem_cid: 5743902
smiles: O(P(OCCCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C66H135O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-70(68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-66H2,1-3H3


name: Linaclotide
cas: 851199-59-2
chemspiderid: 17314504
dtxsid: DTXSID90234256
formula: C59H79N15O21S6
inchikey: KXGCNMMJRFDFNR-UHFFFAOYSA-N
norman_susdat_id: NS00040676
pubchem_cid: 16158208
inchi:
InChI=1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)

smiles:
CC(O)C1NC(=O)C2CSSCC3NC(=O)C(N)CSSCC(NC(=O)C(CSSCC(NC(=O)CNC1=O)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCC(O)=O)NC3=O)C(=O)NC(CC(N)=O)C(=O)N1CCCC1C(=O)NC(C)C(=O)N2


name: 17,21-Dihydroxypregn-4-ene-3,11,20-trione 21-pivalate
cas: 85135-80-4
chemspiderid: 21164619
dtxsid: DTXSID40234261
formula: C26H36O6
inchikey: VHNVULANWDGFPT-MOAAPXTLSA-N
norman_susdat_id: NS00038789
pubchem_cid: 56842764
smiles: CC(C)(C)C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC12C
inchi:
InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-18,21,31H,6-11,13-14H2,1-5H3/t17-,18-,21+,24+,25+,26+/m1/s1


name: 17beta-Hydroxyandrost-4-en-3-one decanoylglycolate
cas: 85135-81-5
chemspiderid: 21164620
dtxsid: DTXSID00234262
formula: C31H48O5
inchikey: GFNGHNQLACFSPX-GHJVWEBLSA-N
norman_susdat_id: NS00038790
pubchem_cid: 56841460
smiles: CCCCCCCCCC(=O)C(O)C(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
inchi:
InChI=1S/C31H48O5/c1-4-5-6-7-8-9-10-11-26(33)28(34)29(35)36-27-15-14-24-23-13-12-21-20-22(32)16-18-30(21,2)25(23)17-19-31(24,27)3/h20,23-25,27-28,34H,4-19H2,1-3H3/t23-,24-,25-,27+,28-,30-,31+/m1/s1


cas: 85135-82-6
formula: C20H26N2O2.C11H18N2O3
inchikey: HNDGSCYYDKNAMN-VJAUXQICSA-N
norman_susdat_id: NS00092460
smiles: CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34.CCC5(CCC(C)C)C(=O)NC(=O)NC5=O
name:
(9S)-10,11-dihydro-6'-methoxycinchonan-9-ol, compound with 5-ethyl-5-(3-methylbutyl)barbituric acid (1:1)

inchi:
InChI=1/C20H26N2O2.C11H18N2O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;7H,4-6H2,1-3H3,(H2,12,13,14,15,16)


name: (9S)-9-hydroxy-6'-methoxycinchonanium nitrite
cas: 85135-83-7
formula: C20H24N2O2.HNO2
inchikey: IGBWEAYXACATJW-VJAUXQICSA-N
norman_susdat_id: NS00093161
smiles: COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.[O-]N=O
inchi:
InChI=1/C20H24N2O2.HNO2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2-1-3/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H,2,3)


name: (9S)-9-hydroxy-6'-methoxycinchonanium lactate
cas: 85135-84-8
formula: C20H24N2O2.C3H6O3
inchikey: ZIDGEHZBXVXPFQ-VJAUXQICSA-N
norman_susdat_id: NS00092716
smiles: COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.CC(O)C(=O)[O-]
inchi:
InChI=1/C20H24N2O2.C3H6O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2(4)3(5)6/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2,4H,1H3,(H,5,6)


cas: 85135-86-0
formula: C20H24N2O2.1/2C3H9O6P
inchikey: WIGIXSBCSSPGJZ-VMJVVOMYSA-N
norman_susdat_id: NS00093162
name:
(8a,9R)-6'-methoxycinchonan-9-ol, compound with 2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate (2:1)

inchi:
InChI=1/2C20H24N2O2.C3H9O6P/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;4-1-3(2-5)9-10(6,7)8/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-5H,1-2H2,(H2,6,7,8)

smiles:
COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@@H]7C[C@@H]8CCN7C[C@@H]8C=C)c6c5.OCC(CO)OP(=O)(O)O


name: Bis[(8a,9R)-9-hydroxy-6'-methoxycinchonanium] sulphate
cas: 85135-87-1
chebiid: CHEBI:52250
formula: C20H24N2O2.1/2H2O4S
inchikey: RONWGALEIBILOG-VMJVVOMYSA-N
norman_susdat_id: NS00092486
inchi:
InChI=1/2C20H24N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)

smiles:
COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.COc5ccc6nccc([C@@H](O)[C@@H]7C[C@@H]8CC[N@H+]7C[C@@H]8C=C)c6c5.[O-]S(=O)(=O)[O-]


name: Sodium 6-[(4-amino-2,5-xylyl)azo]toluene-3-sulphonate
cas: 85135-89-3
formula: C15H17N3O3S
inchikey: YEDPFMFXPLLASX-UHFFFAOYSA-N
norman_susdat_id: NS00065092
pubchem_cid: 416045
smiles: O=S(=O)(O)C1=CC=C(N=NC=2C=C(C(N)=CC2C)C)C(=C1)C
inchi:
InChI=1/C15H17N3O3S/c1-9-8-15(11(3)7-13(9)16)18-17-14-5-4-12(6-10(14)2)22(19,20)21/h4-8H,16H2,1-3H3,(H,19,20,21)


cas: 85135-90-6
formula: C24H19N5O11S3
inchikey: SMBLNGPWAGSHAL-UHFFFAOYSA-K
norman_susdat_id: NS00065023
pubchem_cid: 135755686
name:
Trisodium 7-acetamido-4-hydroxy-3-[[2-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C24H19N5O11S3.3Na/c1-13(30)25-16-4-8-19-14(10-16)11-22(43(38,39)40)23(24(19)31)29-28-20-9-5-17(12-21(20)42(35,36)37)27-26-15-2-6-18(7-3-15)41(32,33)34;;;/h2-12,31H,1H3,(H,25,30)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(N=NC4=CC=C(C=C4)S(=O)(=O)[O-])C=C3S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])C


cas: 85135-91-7
formula: C40H31N5O16S4
inchikey: SWCCCMBPIOGJSD-UHFFFAOYSA-J
norman_susdat_id: NS00065024
pubchem_cid: NA
name:
Tetrasodium 8-hydroxy-7-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]naphthalene-1,3,6-trisulphonate

inchi:
InChI=1/C40H31N5O16S4.4Na/c1-60-31-16-21(8-12-29(31)42-44-37-34(64(54,55)56)18-23-14-26(10-11-28(23)39(37)46)41-25-6-4-3-5-7-25)22-9-13-30(32(17-22)61-2)43-45-38-35(65(57,58)59)19-24-15-27(62(48,49)50)20-33(63(51,52)53)36(24)40(38)47;;;;/h3-20,41,46-47H,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(C=C3OC)C4=CC=C(N=NC=5C(O)=C6C=CC(=CC6=CC5S(=O)(=O)[O-])NC=7C=CC=CC7)C(OC)=C4)C(O)=C2C(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: Disodium 4-amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6-[(o-tolyl)azo]naphthalene-2,7-disulphonate
cas: 85135-93-9
formula: C23H19N6O9S2
inchikey: WBEHSKIFRCQGTC-UHFFFAOYSA-L
norman_susdat_id: NS00065025
pubchem_cid: 135755687
inchi:
InChI=1/C23H18N6O9S2.2Na/c1-12-4-2-3-5-16(12)26-28-22-18(40(36,37)38)11-13-10-17(39(33,34)35)21(20(24)19(13)23(22)30)27-25-14-6-8-15(9-7-14)29(31)32;;/h2-11,30H,24H2,1H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(N)=C3C(C=C(C(N=NC=4C=CC=CC4C)=C3O)S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])C=C1


name: Sodium 2-[4-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]benzoyl]benzoate
cas: 85135-94-0
formula: C24H16N2O5
inchikey: LXFQNVHCAKSDFT-UHFFFAOYSA-M
norman_susdat_id: NS00065026
pubchem_cid: 3020386
smiles: [Na+].O=C([O-])C=1C=CC=CC1C(=O)C2=CC=C(O)C(N=NC3=C(O)C=CC=4C=CC=CC43)=C2
inchi:
InChI=1/C24H16N2O5.Na/c27-20-11-10-15(23(29)17-7-3-4-8-18(17)24(30)31)13-19(20)25-26-22-16-6-2-1-5-14(16)9-12-21(22)28;/h1-13,27-28H,(H,30,31);/q;+1/p-1


name: Sodium 2-[3-[[8-(benzoylamino)-2-hydroxy-1-naphthyl]azo]-4-hydroxybenzoyl]benzoate
cas: 85135-95-1
formula: C31H21N3O6
inchikey: AYDUFQGPKICQQQ-UHFFFAOYSA-M
norman_susdat_id: NS00065093
pubchem_cid: NA
smiles: [Na+].O=C([O-])C=1C=CC=CC1C(=O)C2=CC=C(O)C(N=NC3=C(O)C=CC4=CC=CC(NC(=O)C=5C=CC=CC5)=C43)=C2
inchi:
InChI=1/C31H21N3O6.Na/c35-25-15-14-20(29(37)21-10-4-5-11-22(21)31(39)40)17-24(25)33-34-28-26(36)16-13-18-9-6-12-23(27(18)28)32-30(38)19-7-2-1-3-8-19;/h1-17,35-36H,(H,32,38)(H,39,40);/q;+1/p-1


cas: 85135-96-2
formula: C24H17ClN4O5
inchikey: ILZBFTIKEGUGFA-UHFFFAOYSA-M
norman_susdat_id: NS00065466
pubchem_cid: 3020390
smiles: [Na+].O=C([O-])C=1C=CC=CC1C(=O)C2=CC=C(O)C(N=NC3C(=O)N(N=C3C)C4=CC=C(Cl)C=C4)=C2
name:
Sodium 2-[3-[[1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxybenzoyl]benzoate

inchi:
InChI=1/C24H17ClN4O5.Na/c1-13-21(23(32)29(28-13)16-9-7-15(25)8-10-16)27-26-19-12-14(6-11-20(19)30)22(31)17-4-2-3-5-18(17)24(33)34;/h2-12,21,30H,1H3,(H,33,34);/q;+1/p-1


name: Sodium 2-[3-[[4,5-dihydro-5-oxo-1,3-diphenyl-1H-pyrazol-4-yl]azo]-4-hydroxybenzoyl]benzoate
cas: 85135-97-3
formula: C29H20N4O5
inchikey: OBPXHPBPMVNHLV-UHFFFAOYSA-M
norman_susdat_id: NS00065467
pubchem_cid: 3020392
smiles: [Na+].O=C([O-])C=1C=CC=CC1C(=O)C2=CC=C(O)C(N=NC3C(=O)N(N=C3C=4C=CC=CC4)C=5C=CC=CC5)=C2
inchi:
InChI=1/C29H20N4O5.Na/c34-24-16-15-19(27(35)21-13-7-8-14-22(21)29(37)38)17-23(24)30-31-26-25(18-9-3-1-4-10-18)32-33(28(26)36)20-11-5-2-6-12-20;/h1-17,26,34H,(H,37,38);/q;+1/p-1


name: Sodium 5-amino-2-(4-aminoanilino)benzenesulphonate
cas: 85135-98-4
formula: C12H13N3O3S.Na
inchikey: BAOTVSQSLNDVSF-UHFFFAOYSA-M
norman_susdat_id: NS00093163
smiles: [Na+].Nc1ccc(Nc2ccc(N)cc2S(=O)(=O)[O-])cc1
inchi:
InChI=1/C12H13N3O3S.Na/c13-8-1-4-10(5-2-8)15-11-6-3-9(14)7-12(11)19(16,17)18;/h1-7,15H,13-14H2,(H,16,17,18);/q;+1/p-1


cas: 85136-00-1
formula: C20H16N5O11S2
inchikey: JIXGILGRJFRWNU-UHFFFAOYSA-N
norman_susdat_id: NS00066305
pubchem_cid: 3020396
smiles: O=C1N(N=C(C)C1N=NC=2C=C(C=C(C2O)[N+](=O)[O-])S(=O)(=O)O)C3=CC=C4C(O)=CC(=CC4=C3)S(=O)(=O)O
name:
7-[4,5-dihydro-4-[(2-hydroxy-3-nitro-5-sulphophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-hydroxynaphthalene-2-sulphonic acid

inchi:
InChI=1/C20H15N5O11S2/c1-9-18(22-21-15-6-13(38(34,35)36)7-16(19(15)27)25(29)30)20(28)24(23-9)11-2-3-14-10(4-11)5-12(8-17(14)26)37(31,32)33/h2-8,18,26-27H,1H3,(H,31,32,33)(H,34,35,36)


cas: 85136-01-2
formula: C38H30N10O9S
inchikey: WEYVVYDDRJQUBF-UHFFFAOYSA-N
norman_susdat_id: NS00092723
name:
5-[[4'-[[6-amino-5-(1H-benzotriazol-4-ylazo)-1-hydroxy-3-sulpho-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-4-methylbenzoic acid

inchi:
InChI=1/C38H30N10O9S/c1-18-13-30(49)23(38(51)52)16-29(18)43-40-25-11-7-19(14-31(25)56-2)20-8-12-26(32(15-20)57-3)41-46-36-33(58(53,54)55)17-22-21(37(36)50)9-10-24(39)34(22)45-42-27-5-4-6-28-35(27)47-48-44-28/h4-17,49-50H,39H2,1-3H3,(H,51,52)(H,44,47,48)(H,53,54,55)

smiles:
OC(=O)c7cc(N=Nc1ccc(cc1OC)c6ccc(N=Nc5c(cc4c(ccc(N)c4N=Nc3cccc2nnnc23)c5O)S(O)(=O)=O)c(OC)c6)c(C)cc7O


name: Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate
cas: 85136-03-4
formula: C12H7Cl2NO6S.Na
inchikey: RGFPHNXKJYUZFG-UHFFFAOYSA-M
norman_susdat_id: NS00093164
smiles: [Na+].[O-][N+](=O)c1cc(Cl)ccc1Oc2ccc(Cl)cc2S(=O)(=O)[O-]
inchi:
InChI=1/C12H7Cl2NO6S.Na/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);/q;+1/p-1


name: 5-oxo-L-proline, compound with L-cysteine (1:1)
cas: 85136-17-0
formula: C5H7NO3.C3H7NO2S
inchikey: FVCBXPZCBRIFIM-BHFSHLQUSA-N
norman_susdat_id: NS00092490
smiles: N[C@@H](CS)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1/C5H7NO3.C3H7NO2S/c7-4-2-1-3(6-4)5(8)9;4-2(1-7)3(5)6/h3H,1-2H2,(H,6,7)(H,8,9);2,7H,1,4H2,(H,5,6)


name: Disodium 4,4'-bis[[4-(3-chloro-2-hydroxypropoxy)phenyl]azo]stilbene-2,2'-disulphonate
cas: 85136-26-1
formula: C32H30Cl2N4O10S2.2Na
inchikey: GFJFEEUXJOGYSX-JFIZIBHASA-L
norman_susdat_id: NS00092468
inchi:
InChI=1/C32H30Cl2N4O10S2.2Na/c33-17-27(39)19-47-29-11-7-23(8-12-29)35-37-25-5-3-21(31(15-25)49(41,42)43)1-2-22-4-6-26(16-32(22)50(44,45)46)38-36-24-9-13-30(14-10-24)48-20-28(40)18-34;;/h1-16,27-28,39-40H,17-20H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].ClCC(O)COc1ccc(cc1)N=Nc4ccc(/C=C/c2ccc(cc2S([O-])(=O)=O)N=Nc3ccc(OCC(O)CCl)cc3)c(c4)S([O-])(=O)=O


cas: 85136-27-2
formula: C29H25ClN8O10S2.3Na
inchikey: OJWJUULVVCBILW-UHFFFAOYSA-K
norman_susdat_id: NS00092726
name:
Trisodium 4-[[4-[[6-(3-tert-butylphenoxy)-4-chloro-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/C29H25ClN8O10S2.3Na/c1-29(2,3)15-5-4-6-18(13-15)48-28-33-26(30)32-27(34-28)31-16-7-12-20(21(14-16)50(45,46)47)35-36-22-23(25(40)41)37-38(24(22)39)17-8-10-19(11-9-17)49(42,43)44;;;/h4-14,22H,1-3H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,31,32,33,34);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].CC(C)(C)c1cc(ccc1)Oc2nc(Cl)nc(n2)Nc5ccc(N=NC4\C(=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)C([O-])=O)c(c5)S([O-])(=O)=O


name: Sodium 8-[(2-hydroxy-1-naphthyl)azo]naphthalene-2-sulphonate
cas: 85136-41-0
formula: C20H14N2O4S
inchikey: KLDJASJUZOFMPP-UHFFFAOYSA-M
norman_susdat_id: NS00065055
pubchem_cid: 413219
smiles: [Na+].O=S(=O)([O-])C=1C=CC=2C=CC=C(N=NC3=C(O)C=CC=4C=CC=CC43)C2C1
inchi:
InChI=1/C20H14N2O4S.Na/c23-19-11-9-13-4-1-2-6-16(13)20(19)22-21-18-7-3-5-14-8-10-15(12-17(14)18)27(24,25)26;/h1-12,23H,(H,24,25,26);/q;+1/p-1


cas: 85136-42-1
formula: C22H16N6O14S2
inchikey: UTQVACCAACVQCQ-UHFFFAOYSA-L
norman_susdat_id: NS00065095
pubchem_cid: 135850963
name:
Disodium 5-[(2,4-dihydroxyphenyl)azo]-4-hydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C22H14N6O14S2.2Na/c29-11-1-2-13(17(30)7-11)23-24-14-8-12(43(37,38)39)3-9-4-18(44(40,41)42)20(22(32)19(9)14)26-25-15-5-10(27(33)34)6-16(21(15)31)28(35)36;;/h1-8,29-32H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

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


cas: 85136-43-2
formula: C32H26N8O12S3
inchikey: UAKFNVZZXUDUQS-UHFFFAOYSA-K
norman_susdat_id: NS00065056
pubchem_cid: NA
name:
Trisodium 4-amino-5-hydroxy-3-[[4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]phenyl]azo]-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C32H26N8O12S3.3Na/c1-17(41)28(32(43)34-19-5-3-2-4-6-19)38-35-20-7-9-21(10-8-20)36-39-29-24(54(47,48)49)15-18-16-25(55(50,51)52)30(31(42)26(18)27(29)33)40-37-22-11-13-23(14-12-22)53(44,45)46;;;/h2-16,28,42H,33H2,1H3,(H,34,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC=1C=CC=CC1)C(N=NC2=CC=C(N=NC=3C(N)=C4C(C=C(C(N=NC5=CC=C(C=C5)S(=O)(=O)[O-])=C4O)S(=O)(=O)[O-])=CC3S(=O)(=O)[O-])C=C2)C(=O)C


name: Ethyl 4-[(2-hydroxy-1-naphthyl)azo]-3-nitrobenzoate
cas: 85136-50-1
formula: C19H16N3O5
inchikey: KIHXVGLHHYYKOV-UHFFFAOYSA-N
norman_susdat_id: NS00066307
pubchem_cid: 3020408
smiles: O=C(OCC)C1=CC=C(N=NC2=C(O)C=CC=3C=CC=CC32)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C19H15N3O5/c1-2-27-19(24)13-7-9-15(16(11-13)22(25)26)20-21-18-14-6-4-3-5-12(14)8-10-17(18)23/h3-11,23H,2H2,1H3


name: 4-[(2-bromo-4,6-dinitrophenyl)azo]-N-phenylnaphthalen-1-amine
cas: 85136-51-2
formula: C22H16BrN5O4
inchikey: ILEHDMKLLRFNTR-UHFFFAOYSA-N
norman_susdat_id: NS00066308
pubchem_cid: 3020409
smiles: O=[N+]([O-])C1=CC(Br)=C(N=NC2=CC=C(NC=3C=CC=CC3)C=4C=CC=CC24)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C22H14BrN5O4/c23-18-12-15(27(29)30)13-21(28(31)32)22(18)26-25-20-11-10-19(16-8-4-5-9-17(16)20)24-14-6-2-1-3-7-14/h1-13,24H


name: 1,2,4-trichloro-9-methyl-7-[(p-tolyl)amino]-3H-phenothiazin-3-one
cas: 85136-52-3
dtxsid: DTXSID901005559
formula: C20H13Cl3N2OS
inchikey: MQWKHVCAEZHWAW-UHFFFAOYSA-N
norman_susdat_id: NS00065057
pubchem_cid: 3020410
smiles: O=C1C(Cl)=C(Cl)C2=NC3=C(SC2=C1Cl)C=C(C=C3C)NC4=CC=C(C=C4)C
inchi:
InChI=1/C20H13Cl3N2OS/c1-9-3-5-11(6-4-9)24-12-7-10(2)17-13(8-12)27-20-16(23)19(26)15(22)14(21)18(20)25-17/h3-8,24H,1-2H3


name: 2-methoxyethyl 4-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-3-bromo-5-nitrobenzoate
cas: 85136-53-4
formula: C20H24BrN4O7
inchikey: RVDDORUQEHYZBF-UHFFFAOYSA-N
norman_susdat_id: NS00065109
pubchem_cid: 3020411
smiles: O=C(OCCOC)C1=CC(Br)=C(N=NC2=CC=C(C=C2)N(CCO)CCO)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C20H23BrN4O7/c1-31-10-11-32-20(28)14-12-17(21)19(18(13-14)25(29)30)23-22-15-2-4-16(5-3-15)24(6-8-26)7-9-27/h2-5,12-13,26-27H,6-11H2,1H3


name: 2-methoxyethyl 4-[[4-[bis(2-hydroxyethyl)amino]-2-tolyl]azo]-3-bromo-5-nitrobenzoate
cas: 85136-54-5
formula: C21H26BrN4O7
inchikey: IDLLVUHLKAFFSN-UHFFFAOYSA-N
norman_susdat_id: NS00065494
pubchem_cid: 16205582
smiles: O=C(OCCOC)C1=CC(Br)=C(N=NC2=CC=C(C=C2C)N(CCO)CCO)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C21H25BrN4O7/c1-14-11-16(25(5-7-27)6-8-28)3-4-18(14)23-24-20-17(22)12-15(13-19(20)26(30)31)21(29)33-10-9-32-2/h3-4,11-13,27-28H,5-10H2,1-2H3


name: p-[[2-methoxy-4-[(2-methoxyphenyl)azo]phenyl]azo]phenol
cas: 85136-55-6
formula: C20H18N4O3
inchikey: QSWOFMGVVDQADO-UHFFFAOYSA-N
norman_susdat_id: NS00066321
pubchem_cid: 3020412
smiles: OC1=CC=C(N=NC2=CC=C(N=NC=3C=CC=CC3OC)C=C2OC)C=C1
inchi:
InChI=1/C20H18N4O3/c1-26-19-6-4-3-5-17(19)23-22-15-9-12-18(20(13-15)27-2)24-21-14-7-10-16(25)11-8-14/h3-13,25H,1-2H3


name: 2-methoxyethyl 4-[[4-[(2-cyanoethyl)(2-hydroxyethyl)amino]phenyl]azo]-3-nitrobenzoate
cas: 85136-56-7
formula: C21H24N5O6
inchikey: YWCAZPNMWLSMTF-UHFFFAOYSA-N
norman_susdat_id: NS00065495
pubchem_cid: 3020413
smiles: N#CCCN(C1=CC=C(N=NC2=CC=C(C=C2[N+](=O)[O-])C(=O)OCCOC)C=C1)CCO
inchi:
InChI=1/C21H23N5O6/c1-31-13-14-32-21(28)16-3-8-19(20(15-16)26(29)30)24-23-17-4-6-18(7-5-17)25(11-12-27)10-2-9-22/h3-8,15,27H,2,10-14H2,1H3


name: N-[5-(diethylamino)-2-[(4-nitrophenyl)azo]phenyl]butyramide
cas: 85136-57-8
formula: C20H26N5O3
inchikey: UDMUBTJAUGITJH-UHFFFAOYSA-N
norman_susdat_id: NS00065496
pubchem_cid: 3020414
smiles: O=C(NC1=CC(=CC=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])N(CC)CC)CCC
inchi:
InChI=1/C20H25N5O3/c1-4-7-20(26)21-19-14-17(24(5-2)6-3)12-13-18(19)23-22-15-8-10-16(11-9-15)25(27)28/h8-14H,4-7H2,1-3H3,(H,21,26)


name: 3,6,9,12,15-Pentaoxaheptadecane-1,17-diyl diacrylate
cas: 85136-58-9
chemspiderid: 9233390
dtxsid: DTXSID10234273
formula: C18H30O9
inchikey: DMMSYVRRDYJQSI-UHFFFAOYSA-N
norman_susdat_id: NS00038795
pubchem_cid: 11058231
smiles: C=CC(=O)OCCOCCOCCOCCOCCOCCOC(=O)C=C
inchi:
InChI=1S/C18H30O9/c1-3-17(19)26-15-13-24-11-9-22-7-5-21-6-8-23-10-12-25-14-16-27-18(20)4-2/h3-4H,1-2,5-16H2


name: 3,6,9,12,15,18-Hexaoxaicosane-1,20-diyl diacrylate
cas: 85136-59-0
chemspiderid: 21164658
dtxsid: DTXSID70234274
formula: C20H34O10
inchikey: PVZDCNHDGLMRSP-UHFFFAOYSA-N
norman_susdat_id: NS00038796
pubchem_cid: 44146638
smiles: C=CC(=O)OCCOCCOCCOCCOCCOCCOCCOC(=O)C=C
inchi:
InChI=1S/C20H34O10/c1-3-19(21)29-17-15-27-13-11-25-9-7-23-5-6-24-8-10-26-12-14-28-16-18-30-20(22)4-2/h3-4H,1-2,5-18H2


name: 20-Hydroxy-3,6,9,12,15,18-hexaoxaicosyl acrylate
cas: 85136-61-4
chemspiderid: 9626675
dtxsid: DTXSID90234276
formula: C17H32O9
inchikey: JBJPOMNMCVIYPK-UHFFFAOYSA-N
norman_susdat_id: NS00038798
pubchem_cid: 11451824
smiles: OCCOCCOCCOCCOCCOCCOCCOC(=O)C=C
inchi:
InChI=1S/C17H32O9/c1-2-17(19)26-16-15-25-14-13-24-12-11-23-10-9-22-8-7-21-6-5-20-4-3-18/h2,18H,1,3-16H2


cas: 85136-62-5
dtxsid: DTXSID201005560
formula: C35H52N2O12
inchikey: VGWHIXMKBIUOEE-UHFFFAOYSA-N
norman_susdat_id: NS00065075
pubchem_cid: 44150189
smiles: O=C(OCC(COC(=O)C=C)(COC(=O)NC1CC(NC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)CC)(C)CC(C)(C)C1)CC)C=C
name:
2-[[[[[3-[[[2,2-bis[[(1-oxoallyl)oxy]methyl]butoxy]carbonyl]amino]-3,5,5-trimethylcyclohexyl]amino]carbonyl]oxy]methyl]-2-ethylpropane-1,3-diyl diacrylate

inchi:
InChI=1/C35H52N2O12/c1-10-26(38)44-19-34(14-5,20-45-27(39)11-2)23-48-30(42)36-25-16-32(7,8)18-33(9,17-25)37-31(43)49-24-35(15-6,21-46-28(40)12-3)22-47-29(41)13-4/h10-13,25H,1-4,14-24H2,5-9H3,(H,36,42)(H,37,43)


name: 4-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-methylbenzenesulphonic acid
cas: 85136-63-6
formula: C17H14N2O5S
inchikey: PVPPOERSQVBQMT-UHFFFAOYSA-N
norman_susdat_id: NS00065110
pubchem_cid: 3020415
smiles: O=S(=O)(O)C1=CC(N=NC2=C(O)C=CC=3C=CC=CC32)=C(O)C(=C1)C
inchi:
InChI=1/C17H14N2O5S/c1-10-8-12(25(22,23)24)9-14(17(10)21)18-19-16-13-5-3-2-4-11(13)6-7-15(16)20/h2-9,20-21H,1H3,(H,22,23,24)


name: Sodium 4-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]-5-methylbenzenesulphonate
cas: 85136-64-7
formula: C17H14N2O5S.Na
inchikey: SZNNAHNKEBYFNP-UHFFFAOYSA-M
norman_susdat_id: NS00092727
smiles: [Na+].[O-]S(=O)(=O)c3cc(N=Nc1c2ccccc2ccc1O)c(O)c(C)c3
inchi:
InChI=1/C17H14N2O5S.Na/c1-10-8-12(25(22,23)24)9-14(17(10)21)18-19-16-13-5-3-2-4-11(13)6-7-15(16)20;/h2-9,20-21H,1H3,(H,22,23,24);/q;+1/p-1


cas: 85136-65-8
formula: C22H16Cl2N4O5S
inchikey: HNDWFSMOKQZSNF-UHFFFAOYSA-N
norman_susdat_id: NS00093180
smiles: Clc4ccccc4Oc3ccc(Cl)cc3N=NC2C(\C)=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O
name:
4-[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C22H16Cl2N4O5S/c1-13-21(22(29)28(27-13)15-7-9-16(10-8-15)34(30,31)32)26-25-18-12-14(23)6-11-20(18)33-19-5-3-2-4-17(19)24/h2-12,21H,1H3,(H,30,31,32)


name: 5-((4-Hydroxy-5-nitrobenzoyl)amino)-2-nitrobenzoic acid
cas: 85136-66-9
chemspiderid: 2287308
dtxsid: DTXSID50234277
formula: C14H9N3O8
inchikey: KARHQWSVPLKNBE-UHFFFAOYSA-N
norman_susdat_id: NS00038799
pubchem_cid: 3020417
smiles: OC(=O)c1c(ccc(NC(=O)c2ccc(O)c(c2)[N+](=O)[O-])c1)[N+](=O)[O-]
inchi:
InChI=1S/C14H9N3O8/c18-12-4-1-7(5-11(12)17(24)25)13(19)15-8-2-3-10(16(22)23)9(6-8)14(20)21/h1-6,18H,(H,15,19)(H,20,21)


name: 7-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-4-hydroxynaphthalene-2-sulphonic acid
cas: 85136-68-1
chemspiderid: 2287310
dtxsid: DTXSID70234279
formula: C14H12N2O5S1
inchikey: UGIGSDAVKXWWJV-UHFFFAOYSA-N
norman_susdat_id: NS00038801
pubchem_cid: 3020419
smiles: CC1=NN(C(=O)C1)c1cc2c(cc1)c(O)cc(c2)S(=O)(=O)O
inchi:
InChI=1S/C14H12N2O5S/c1-8-4-14(18)16(15-8)10-2-3-12-9(5-10)6-11(7-13(12)17)22(19,20)21/h2-3,5-7,17H,4H2,1H3,(H,19,20,21)


name: Bromoiododibenzo[def,mno]chrysene-6,12-dione
cas: 85136-69-2
dtxsid: DTXSID901005561
formula: C22H8BrIO2
inchikey: BBRZTHVSFWFFNO-UHFFFAOYSA-N
norman_susdat_id: NS00065111
pubchem_cid: NA
smiles: O=C1C2=CC=CC=3C=CC=4C(=O)C=5C(Br)=C(I)C=C6C=CC1=C(C65)C4C32
inchi:
InChI=1/C22H8BrIO2/c23-20-14(24)8-10-5-7-12-18-16(10)19(20)22(26)13-6-4-9-2-1-3-11(21(12)25)15(9)17(13)18/h1-8H


cas: 85136-70-5
dtxsid: DTXSID601005562
formula: C31H38N2O14
inchikey: KDFMKRGEYHXTOB-UHFFFAOYSA-N
norman_susdat_id: NS00065076
pubchem_cid: 53423490
smiles: O=C(OCC(CO)(COC(=O)C=C)COC(=O)NC1=CC=CC(=C1)CNC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C)C=C
name:
2-[[[[[3-[[[3-hydroxy-2,2-bis[[(1-oxoallyl)oxy]methyl]propoxy]carbonyl]amino]methylphenyl]amino]carbonyl]oxy]methyl]-2-(hydroxymethyl)-1,3-propanediyl diacrylate

inchi:
InChI=1/C31H38N2O14/c1-5-24(36)42-16-30(14-34,17-43-25(37)6-2)20-46-28(40)32-13-22-10-9-11-23(12-22)33-29(41)47-21-31(15-35,18-44-26(38)7-3)19-45-27(39)8-4/h5-12,34-35H,1-4,13-21H2,(H,32,40)(H,33,41)


cas: 85136-74-9
chemspiderid: 34451963
formula: C25H26N6O3
inchikey: OQGRWUAQMXJPDP-UHFFFAOYSA-N
norman_susdat_id: NS00003898
pubchem_cid: NA
smiles: CC(C)OCCCn1c(O)c(N=Nc2ccc(cc2)N=Nc2ccccc2)c(C)c(C#N)c1=O
name:
6-hydroxy-1-(3-isopropoxypropyl)-4-methyl-2-oxo-5-[4-(phenylazo)phenylazo]-1,2-dihydro-3-pyridinecarbonitrile

inchi:
InChI=1S/C25H26N6O3/c1-17(2)34-15-7-14-31-24(32)22(16-26)18(3)23(25(31)33)30-29-21-12-10-20(11-13-21)28-27-19-8-5-4-6-9-19/h4-6,8-13,17,33H,7,14-15H2,1-3H3


name: Arachidonoyl amide
cas: 85146-53-8
chebiid: CHEBI:137830
chemspiderid: 4446514
formula: C20H33N1O1
inchikey: BNBSCAZCQDLUDU-DOFZRALJSA-N
norman_susdat_id: NS00015004
pubchem_cid: 5283393
smiles: CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=O)N
inchi:
InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H2,21,22)/b7-6-,10-9-,13-12-,16-15-


name: (8a,9R)-10,11-dihydro-6'-methoxycinchonan-9-ol monohydrobromide
cas: 85153-19-1
formula: C20H26N2O2.BrH
inchikey: BKKQYYLUFOIOJF-DSXUQNDKSA-N
norman_susdat_id: NS00092477
smiles: Br.CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34
inchi:
InChI=1/C20H26N2O2.BrH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;1H


cas: 85153-20-4
formula: C38H30N10O9S.2Na
inchikey: HIIFZXBQAARDAL-UHFFFAOYSA-L
norman_susdat_id: NS00092478
name:
Disodium 5-[[4'-[[6-amino-5-(1H-benzotriazol-4-ylazo)-1-hydroxy-3-sulphonato-2-naphthyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-4-methylsalicylate

inchi:
InChI=1/C38H30N10O9S.2Na/c1-18-13-30(49)23(38(51)52)16-29(18)43-40-25-11-7-19(14-31(25)56-2)20-8-12-26(32(15-20)57-3)41-46-36-33(58(53,54)55)17-22-21(37(36)50)9-10-24(39)34(22)45-42-27-5-4-6-28-35(27)47-48-44-28;;/h4-17,49-50H,39H2,1-3H3,(H,51,52)(H,44,47,48)(H,53,54,55);;/q;2*+1/p-2

smiles:
[Na+].[Na+].[O-]C(=O)c7cc(N=Nc1ccc(cc1OC)c6ccc(N=Nc5c(cc4c(ccc(N)c4N=Nc3cccc2nnnc23)c5O)S([O-])(=O)=O)c(OC)c6)c(C)cc7O


cas: 85153-22-6
formula: C34H27N3O8S
inchikey: SGPUSRFUFNGXCE-UHFFFAOYSA-M
norman_susdat_id: NS00066322
pubchem_cid: 136075937
name:
Sodium 4-[[6'-(diethylamino)-3'-hydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]azo]-3-hydroxynaphthalene-1-sulphonate

inchi:
InChI=1/C34H27N3O8S.Na/c1-3-37(4-2)19-13-14-24-29(15-19)44-30-17-27(38)26(16-25(30)34(24)23-12-8-7-11-22(23)33(40)45-34)35-36-32-21-10-6-5-9-20(21)31(18-28(32)39)46(41,42)43;/h5-18,38-39H,3-4H2,1-2H3,(H,41,42,43);/q;+1/p-1

smiles:
[Na+].O=C1OC2(C3=CC=C(C=C3OC4=CC(O)=C(N=NC5=C(O)C=C(C=6C=CC=CC56)S(=O)(=O)[O-])C=C42)N(CC)CC)C=7C=CC=CC17


name: Sodium 8-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
cas: 85153-24-8
dtxsid: DTXSID60234288
formula: C14H9NO5S
inchikey: XKIMJXDZKINLLY-UHFFFAOYSA-M
norman_susdat_id: NS00065518
pubchem_cid: 3020421
smiles: [Na+].O=C1C2=CC=C(C=C2C(=O)C=3C(N)=CC=CC13)S(=O)(=O)[O-]
inchi:
InChI=1/C14H9NO5S.Na/c15-11-3-1-2-9-12(11)14(17)10-6-7(21(18,19)20)4-5-8(10)13(9)16;/h1-6H,15H2,(H,18,19,20);/q;+1/p-1


cas: 85153-25-9
formula: C34H26N10O11S3
inchikey: OVPWUKUDHDWEEY-UHFFFAOYSA-K
norman_susdat_id: NS00065519
pubchem_cid: NA
name:
Trisodium 4-amino-3-[[4-[[4-amino-2-hydroxy-5-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H26N10O11S3.3Na/c35-24-16-27(45)26(17-25(24)41-37-22-10-12-23(13-11-22)56(47,48)49)42-38-20-6-8-21(9-7-20)40-43-32-28(57(50,51)52)14-18-15-29(58(53,54)55)33(34(46)30(18)31(32)36)44-39-19-4-2-1-3-5-19;;;/h1-17,45-46H,35-36H2,(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=CC(N=NC3=CC=C(N=NC=4C(N)=C5C(O)=C(N=NC=6C=CC=CC6)C(=CC5=CC4S(=O)(=O)[O-])S(=O)(=O)[O-])C=C3)=C(O)C=C2N)C=C1


cas: 85153-26-0
formula: C72H38N4O8
inchikey: YVCNVVZBDZOBDU-UHFFFAOYSA-N
norman_susdat_id: NS00065077
pubchem_cid: NA
name:
N,N'-[(5,13-dihydro-5,13-dioxoaceanthryleno[2,1-a]aceanthrylene-6,14-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)]]bis(benzamide)

inchi:
InChI=1/C72H38N4O8/c77-65-39-21-9-7-19-37(39)53-56-46-28-30-48(74-50-32-34-52(76-72(84)36-17-5-2-6-18-36)64-62(50)68(80)42-24-12-14-26-44(42)70(64)82)60-58(46)54(38-20-8-10-22-40(38)66(60)78)55(56)45-27-29-47(59(65)57(45)53)73-49-31-33-51(75-71(83)35-15-3-1-4-16-35)63-61(49)67(79)41-23-11-13-25-43(41)69(63)81/h1-34,73-74H,(H,75,83)(H,76,84)

smiles:
O=C(NC1=CC=C(NC2=CC=C3C4=C2C(=O)C=5C=CC=CC5C4=C6C7=CC=C(NC8=CC=C(NC(=O)C=9C=CC=CC9)C=%10C(=O)C=%11C=CC=CC%11C(=O)C8%10)C=%12C(=O)C=%13C=CC=CC%13C(C7%12)=C36)C=%14C(=O)C=%15C=CC=CC%15C(=O)C1%14)C=%16C=CC=CC%16


name: Disodium [[[2-[[2-[[(4-vinylphenyl)methyl]amino]ethyl]amino]ethyl]amino]methyl]phosphonate
cas: 85153-30-6
dtxsid: DTXSID30234290
formula: C14H24N3O3P
inchikey: VROJJOCKUXXEOK-UHFFFAOYSA-L
norman_susdat_id: NS00066323
pubchem_cid: 44150840
smiles: [Na+].[Na+].O=P([O-])([O-])CNCCNCCNCC1=CC=C(C=C)C=C1
inchi:
InChI=1/C14H24N3O3P.2Na/c1-2-13-3-5-14(6-4-13)11-16-9-7-15-8-10-17-12-21(18,19)20;;/h2-6,15-17H,1,7-12H2,(H2,18,19,20);;/q;2*+1/p-2


name: (2-hydroxyethyl)dimethyloctylammonium perchlorate
cas: 85153-31-7
dtxsid: DTXSID90234291
formula: C12H28NO
inchikey: CNDQYTXUVRPGMV-UHFFFAOYSA-M
norman_susdat_id: NS00065521
pubchem_cid: 21149622
smiles: O=Cl(=O)(=O)[O-].OCC[N+](C)(C)CCCCCCCC
inchi:
InChI=1/C12H28NO.ClHO4/c1-4-5-6-7-8-9-10-13(2,3)11-12-14;2-1(3,4)5/h14H,4-12H2,1-3H3;(H,2,3,4,5)/q+1;/p-1


name: [2-[2-hydroxy-3-[(1-oxooctadecyl)oxy]propoxy]-2-oxoethyl]dimethyloctadecylammonium chloride
cas: 85153-32-8
dtxsid: DTXSID001005576
formula: C43H86NO5
inchikey: UYXPCBDGIPYWII-UHFFFAOYSA-M
norman_susdat_id: NS00065078
pubchem_cid: 21149623
smiles: [Cl-].O=C(OCC(O)COC(=O)C[N+](C)(C)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C43H86NO5.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(3,4)38-43(47)49-40-41(45)39-48-42(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h41,45H,5-40H2,1-4H3;1H/q+1;/p-1


name: Dipotassium 2-[(2-ethylhexyl)oxy]ethyl phosphate
cas: 85153-33-9
dtxsid: DTXSID701005577
formula: C10H23O5P
inchikey: ZRRJVXUFAHCWLV-UHFFFAOYSA-L
norman_susdat_id: NS00065113
pubchem_cid: 11970908
smiles: [K+].[K+].O=P([O-])([O-])OCCOCC(CC)CCCC
inchi:
InChI=1/C10H23O5P.2K/c1-3-5-6-10(4-2)9-14-7-8-15-16(11,12)13;;/h10H,3-9H2,1-2H3,(H2,11,12,13);;/q;2*+1/p-2


name: Trimethyloctylammonium dimethyl phosphate
cas: 85153-34-0
formula: C11H26N.C2H6O4P
inchikey: WCLHBKHYFYPXRV-UHFFFAOYSA-M
norman_susdat_id: NS00092479
smiles: CCCCCCCC[N+](C)(C)C.COP(=O)([O-])OC
inchi:
InChI=1/C11H26N.C2H7O4P/c1-5-6-7-8-9-10-11-12(2,3)4;1-5-7(3,4)6-2/h5-11H2,1-4H3;1-2H3,(H,3,4)/q+1;/p-1


name: 3,6,9,16,19-Pentaoxahenicosane-1,21-diyl dilaurate
cas: 85153-35-1
chemspiderid: 21164670
dtxsid: DTXSID50234292
formula: C40H78O9
inchikey: TWTBVGOCMCEYLV-UHFFFAOYSA-N
norman_susdat_id: NS00038803
pubchem_cid: 44146886
smiles: CCCCCCCCCCCC(=O)OCCOCCOCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C40H78O9/c1-3-5-7-9-11-13-15-17-21-25-39(41)48-37-35-46-32-30-44-28-24-20-19-23-27-43-29-31-45-33-34-47-36-38-49-40(42)26-22-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3


name: N-(4-((4-((4-Hydroxyphenyl)amino)phenyl)amino)phenyl)acetamide
cas: 85153-38-4
chemspiderid: 2287321
dtxsid: DTXSID10234293
formula: C20H19N3O2
inchikey: SJRVFAFOOJNKOI-UHFFFAOYSA-N
norman_susdat_id: NS00038804
pubchem_cid: 3020432
smiles: CC(=O)Nc1ccc(Nc2ccc(Nc3ccc(O)cc3)cc2)cc1
inchi:
InChI=1S/C20H19N3O2/c1-14(24)21-15-2-4-16(5-3-15)22-17-6-8-18(9-7-17)23-19-10-12-20(25)13-11-19/h2-13,22-23,25H,1H3,(H,21,24)


name: 6,14-dichloroaceanthryleno[2,1-a]aceanthrylene-5,13-dione
cas: 85153-39-5
formula: C30H12Cl2O2
inchikey: MLJHQWODFQNJMQ-UHFFFAOYSA-N
norman_susdat_id: NS00065523
pubchem_cid: 102438402
smiles: O=C1C=2C=CC=CC2C=3C=4C(=CC=C(Cl)C14)C5=C6C=7C=CC=CC7C(=O)C=8C(Cl)=CC=C(C86)C35
inchi:
InChI=1/C30H12Cl2O2/c31-19-12-10-18-24-22-14-6-2-4-8-16(14)30(34)28-20(32)11-9-17(26(22)28)23(24)21-13-5-1-3-7-15(13)29(33)27(19)25(18)21/h1-12H


name: 10,10'-(1,2-ethanediylidene)bis[1-chloroanthracen-9(10H)-one]
cas: 85153-40-8
formula: C30H16Cl2O2
inchikey: VIZUBHPKAIOLKP-UHFFFAOYSA-N
norman_susdat_id: NS00065114
pubchem_cid: 53446759
smiles: O=C1C=2C=CC=CC2C(=CC=C3C=4C=CC=CC4C(=O)C=5C(Cl)=CC=CC35)C=6C=CC=C(Cl)C16
inchi:
InChI=1/C30H16Cl2O2/c31-25-13-5-11-21-19(17-7-1-3-9-23(17)29(33)27(21)25)15-16-20-18-8-2-4-10-24(18)30(34)28-22(20)12-6-14-26(28)32/h1-16H


name: 1-((9,10-Dihydro-9,10-dioxo-1-anthryl)amino)-5-((7-oxo-7Hbenz(de)-3-anthryl)amino)anthraquinone
cas: 85153-41-9
chemspiderid: 57523384
dtxsid: DTXSID70234294
formula: C45H24N2O5
inchikey: FBOXESQFFWYKPR-UHFFFAOYSA-N
norman_susdat_id: NS00038805
pubchem_cid: 44149230
smiles: O=C1c2ccccc2c2c3c1cccc3c(Nc1cccc3c1C(=O)c1c(C3=O)c(Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc1)cc2
inchi:
InChI=1S/C45H24N2O5/c48-41-25-10-2-1-9-23(25)24-21-22-33(28-13-5-14-29(41)37(24)28)46-34-18-7-16-31-39(34)44(51)32-17-8-20-36(40(32)45(31)52)47-35-19-6-15-30-38(35)43(50)27-12-4-3-11-26(27)42(30)49/h1-22,46-47H


cas: 85153-43-1
formula: C17H15N5O9S2
inchikey: KKWGDRBBHYUNIY-UHFFFAOYSA-N
norman_susdat_id: NS00092493
smiles: OS(=O)(=O)c3ccccc3N=NC2\C(=N/N(c1cc(N)cc(c1C)S(O)(=O)=O)C2=O)C(O)=O
name:
1-(5-amino-2-methyl-3-sulphophenyl)-4,5-dihydro-5-oxo-4-[(2-sulphophenyl)azo]-1H-pyrazole-3-carboxylic acid

inchi:
InChI=1/C17H15N5O9S2/c1-8-11(6-9(18)7-13(8)33(29,30)31)22-16(23)14(15(21-22)17(24)25)20-19-10-4-2-3-5-12(10)32(26,27)28/h2-7,14H,18H2,1H3,(H,24,25)(H,26,27,28)(H,29,30,31)


name: 1,5-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
cas: 85153-44-2
chemspiderid: 2287323
dtxsid: DTXSID30234295
formula: C14H10N2O5S1
inchikey: DWBYKKOMRNYEMS-UHFFFAOYSA-N
norman_susdat_id: NS00038806
pubchem_cid: 3020434
smiles: Nc1c2C(=O)c3c(c(N)c(cc3)S(=O)(=O)O)C(=O)c2ccc1
inchi:
InChI=1S/C14H10N2O5S/c15-8-3-1-2-6-10(8)13(17)7-4-5-9(22(19,20)21)12(16)11(7)14(6)18/h1-5H,15-16H2,(H,19,20,21)


name: Phosphoric acid, butyl ester, compd. with (Z)-N-[2-[(2-hydroxyethyl)amino]ethyl]-9-octadecenamide
cas: 85153-71-5
formula: -
inchikey: XCLQHVPLEFKGQM-KVVVOXFISA-N
norman_susdat_id: NS00092454
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)NCCNCCO.CCCCOP(=O)(O)O
inchi:
InChI=1/C22H44N2O2.C4H11O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25;1-2-3-4-8-9(5,6)7/h9-10,23,25H,2-8,11-21H2,1H3,(H,24,26);2-4H2,1H3,(H2,5,6,7)


name: Sodium (Z)-2-[2-(octadec-9-enyloxy)ethoxy]ethyl sulphate
cas: 85153-72-6
formula: C22H44O6S
inchikey: BMOOYYHLFXDSNF-KVVVOXFISA-M
norman_susdat_id: NS00063659
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])OCCOCCOCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C22H44O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-19-20-27-21-22-28-29(23,24)25;/h9-10H,2-8,11-22H2,1H3,(H,23,24,25);/q;+1/p-1


name: Disodium 10-hydroxy-18-[2-[2-(sulphonatooxy)ethoxy]ethoxy]octadecane-9-sulphonate
cas: 85153-73-7
dtxsid: DTXSID401005592
formula: C22H46O10S2
inchikey: ACAYMVIABBCVER-UHFFFAOYSA-L
norman_susdat_id: NS00063660
pubchem_cid: 11970909
smiles: [Na+].[Na+].O=S(=O)([O-])OCCOCCOCCCCCCCCC(O)C(CCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C22H46O10S2.2Na/c1-2-3-4-5-9-12-15-22(33(24,25)26)21(23)14-11-8-6-7-10-13-16-30-17-18-31-19-20-32-34(27,28)29;;/h21-23H,2-20H2,1H3,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: 5-oxo-DL-proline, compound with L-threonine (1:1)
cas: 85153-74-8
formula: C5H7NO3.C4H9NO3
inchikey: DJKGCEGBSKHVHU-CFTANFMLSA-N
norman_susdat_id: NS00092455
smiles: CC(O)[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1/C5H7NO3.C4H9NO3/c7-4-2-1-3(6-4)5(8)9;1-2(6)3(5)4(7)8/h3H,1-2H2,(H,6,7)(H,8,9);2-3,6H,5H2,1H3,(H,7,8)


name: o-carboxyphenyl 5-oxo-DL-prolinate
cas: 85153-76-0
dtxsid: DTXSID801005594
formula: C12H11NO5
inchikey: QIVGHCRIRZKFKJ-QMMMGPOBSA-N
norman_susdat_id: NS00063661
pubchem_cid: 44146716
smiles: O=C(O)C=1C=CC=CC1OC(=O)C2NC(=O)CC2
inchi:
InChI=1/C12H11NO5/c14-10-6-5-8(13-10)12(17)18-9-4-2-1-3-7(9)11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)


name: 5-oxo-L-proline, compound with DL-methionine (1:1)
cas: 85153-79-3
formula: C5H11NO2S.C5H7NO3
inchikey: JRRDLLMFFHGUGJ-ZATYTLRZSA-N
norman_susdat_id: NS00091809
smiles: CSCC[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1/C5H7NO3.C5H11NO2S/c7-4-2-1-3(6-4)5(8)9;1-9-3-2-4(6)5(7)8/h3H,1-2H2,(H,6,7)(H,8,9);4H,2-3,6H2,1H3,(H,7,8)


name: 5-oxo-L-proline, compound with 3-phenyl-DL-alanine (1:1)
cas: 85153-81-7
formula: C9H11NO2.C5H7NO3
inchikey: CQXVXFVRRRCZJW-YYTBSQRUSA-N
norman_susdat_id: NS00091763
smiles: N[C@@H](Cc1ccccc1)C(=O)O.OC(=O)[C@@H]2CCC(=O)N2
inchi:
InChI=1/C9H11NO2.C5H7NO3/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-4-2-1-3(6-4)5(8)9/h1-5,8H,6,10H2,(H,11,12);3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with pyridine-3-carboxamide (1:1)
cas: 85153-85-1
formula: C6H6N2O.C5H7NO3
inchikey: TVFPTMXWRJNBSZ-HVDRVSQOSA-N
norman_susdat_id: NS00092012
smiles: NC(=O)c1cccnc1.OC(=O)[C@@H]2CCC(=O)N2
inchi:
InChI=1/C6H6N2O.C5H7NO3/c7-6(9)5-2-1-3-8-4-5;7-4-2-1-3(6-4)5(8)9/h1-4H,(H2,7,9);3H,1-2H2,(H,6,7)(H,8,9)


name: (5a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one hydrobromide
cas: 85153-89-5
formula: C18H19NO3.BrH
inchikey: JZQDJEYFELXOQJ-RNWHKREASA-N
norman_susdat_id: NS00091810
smiles: Br.COc1ccc2C[C@@H]3[C@@H]4C=CC(=O)[C@@H]5Oc1c2[C@]45CCN3C
inchi:
InChI=1/C18H19NO3.BrH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3-6,11-12,17H,7-9H2,1-2H3;1H


name: 6,7,8,14-tetradehydro-3-methoxy-17-methylmorphinan-4-ol
cas: 85153-90-8
formula: C18H21NO2
inchikey: ONYKSPDQQPOMEU-RDTXWAMCSA-N
norman_susdat_id: NS00063662
pubchem_cid: 14061353
smiles: OC=1C(OC)=CC=C2C1C34C(=CC=CC3)C(N(C)CC4)C2
inchi:
InChI=1/C18H21NO2/c1-19-10-9-18-8-4-3-5-13(18)14(19)11-12-6-7-15(21-2)17(20)16(12)18/h3-7,14,20H,8-11H2,1-2H3


name: 6,7-didehydro-3,6-dimethoxy-17-methylmorphinan-4-ol
cas: 85153-91-9
formula: C19H25NO3
inchikey: FABLLHVODMNOPU-KHYOSLBOSA-N
norman_susdat_id: NS00063782
pubchem_cid: 92029219
smiles: OC=1C(OC)=CC=C2C1C34CC(OC)=CCC4C(N(C)CC3)C2
inchi:
InChI=1/C19H25NO3/c1-20-9-8-19-11-13(22-2)5-6-14(19)15(20)10-12-4-7-16(23-3)18(21)17(12)19/h4-5,7,14-15,21H,6,8-11H2,1-3H3


cas: 85154-03-6
formula: C26H18N6O9S3
inchikey: HZICBJJXPSGGNK-WVFFXBQBSA-K
norman_susdat_id: NS00065013
pubchem_cid: 44146618
name:
Trisodium 2-[3-sulphonato-4-[2-[2-sulphonato-4-(1H-1,2,3-triazol-1-yl)phenyl]vinyl]phenyl]-2H-naphtho[1,2-d]triazole-6-sulphonate

inchi:
InChI=1/C26H18N6O9S3.3Na/c33-42(34,35)23-3-1-2-21-20(23)10-11-22-26(21)29-32(28-22)19-9-7-17(25(15-19)44(39,40)41)5-4-16-6-8-18(31-13-12-27-30-31)14-24(16)43(36,37)38;;;/h1-15H,(H,33,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C2C3=NN(N=C3C=CC21)C4=CC=C(C=CC5=CC=C(C=C5S(=O)(=O)[O-])N6N=NC=C6)C(=C4)S(=O)(=O)[O-]


cas: 85154-06-9
formula: C28H34N10O13S3
inchikey: FRARBMHVIJTNMN-UHFFFAOYSA-M
norman_susdat_id: NS00063680
pubchem_cid: 58683184
name:
Benzenesulfonic acid, 5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-methoxy-6-[(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-, sodium salt, compd. with 2,2'-iminobis[ethanol]

inchi:
InChI=1/C28H34N10O13S3.C4H11NO2.Na/c1-50-27-34-23(29-9-14-52(41,42)43)32-24(35-27)30-19-7-5-17(21(15-19)53(44,45)46)3-4-18-6-8-20(16-22(18)54(47,48)49)31-25-33-26(37-28(36-25)51-2)38(10-12-39)11-13-40;6-3-1-5-2-4-7;/h3-8,15-16,39-40H,9-14H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,31,33,36,37)(H2,29,30,32,34,35);5-7H,1-4H2;/q;;+1/p-1

smiles:
[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)O)NC3=NC(=NC(=N3)NCCS(=O)(=O)O)OC)NC4=NC(=NC(=N4)N(CCO)CCO)OC.OCCNCCO


cas: 85154-08-1
formula: C20H24ClN3O2S.C3H6O3
inchikey: TVBOOZZXKDXSHZ-UHFFFAOYSA-N
norman_susdat_id: NS00092021
smiles: CC(O)C(=O)O.CC(CS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3)N(C)C
name:
Lactic acid, compound with 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-1,N,N-trimethylethylamine (1:1)

inchi:
InChI=1/C20H24ClN3O2S.C3H6O3/c1-15(23(2)3)14-27(25,26)19-10-8-18(9-11-19)24-13-12-20(22-24)16-4-6-17(21)7-5-16;1-2(4)3(5)6/h4-11,15H,12-14H2,1-3H3;2,4H,1H3,(H,5,6)


name: N-(2-(Acetylamino)ethyl)-N-(2-(stearoylamino)ethyl)stearamide
cas: 85154-10-5
chemspiderid: 2287343
dtxsid: DTXSID70234310
formula: C42H83N3O3
inchikey: NNGDOQBAJNRFBB-UHFFFAOYSA-N
norman_susdat_id: NS00038814
pubchem_cid: 3020459
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)C)C(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C42H83N3O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(47)44-37-39-45(38-36-43-40(3)46)42(48)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-39H2,1-3H3,(H,43,46)(H,44,47)


name: N-(2-(Acetyl(2-((1-oxohexadecyl)amino)ethyl)amino)ethyl)stearamide
cas: 85154-11-6
chemspiderid: 2287344
dtxsid: DTXSID30234311
formula: C40H79N3O3
inchikey: QVRVJWAIJCTHPW-UHFFFAOYSA-N
norman_susdat_id: NS00038815
pubchem_cid: 3020460
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCC)C(=O)C
inchi:
InChI=1S/C40H79N3O3/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-40(46)42-35-37-43(38(3)44)36-34-41-39(45)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2/h4-37H2,1-3H3,(H,41,45)(H,42,46)


name: Dimethylbis[2-[(1-oxooctadecyl)oxy]ethyl]ammonium methyl phosphonate
cas: 85154-12-7
formula: C42H84NO4.CH4O3P
inchikey: FXIVXIWHQRTVMJ-UHFFFAOYSA-M
norman_susdat_id: NS00092022
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCCCC.COP(=O)[O-]
inchi:
InChI=1/C42H84NO4.CH5O3P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(44)46-39-37-43(3,4)38-40-47-42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-4-5(2)3/h5-40H2,1-4H3;5H,1H3,(H,2,3)/q+1;/p-1


name: Dimethylbis[2-[(1-oxotetradecyl)oxy]ethyl]ammonium methyl phosphonate
cas: 85154-14-9
formula: C34H68NO4
inchikey: QOHOJGMDDSDXJN-UHFFFAOYSA-M
norman_susdat_id: NS00065035
pubchem_cid: 183978
smiles: O=C(OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC.O=P([O-])OC
inchi:
InChI=1/C34H68NO4.CH5O3P/c1-5-7-9-11-13-15-17-19-21-23-25-27-33(36)38-31-29-35(3,4)30-32-39-34(37)28-26-24-22-20-18-16-14-12-10-8-6-2;1-4-5(2)3/h5-32H2,1-4H3;5H,1H3,(H,2,3)/q+1;/p-1


name: Dimethylbis[2-[(1-oxohexadecyl)oxy]ethyl]ammonium methyl phosphonate
cas: 85154-16-1
formula: C38H76NO4.CH4O3P
inchikey: FVDMHJYKIGGAAE-UHFFFAOYSA-M
norman_susdat_id: NS00091769
smiles: CCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCCCCCC.COP(=O)[O-]
inchi:
InChI=1/C38H76NO4.CH5O3P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37(40)42-35-33-39(3,4)34-36-43-38(41)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-4-5(2)3/h5-36H2,1-4H3;5H,1H3,(H,2,3)/q+1;/p-1


name: Trisodium pyrene-1,3,6-trisulphonate
cas: 85154-17-2
dtxsid: DTXSID90234312
formula: C16H10O9S3
inchikey: DYMFZRARZACULM-UHFFFAOYSA-K
norman_susdat_id: NS00064198
pubchem_cid: 11970911
smiles: [Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC2=CC=C3C(=CC(=C4C=CC1C2=C34)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C16H10O9S3.3Na/c17-26(18,19)12-6-2-8-1-3-10-13(27(20,21)22)7-14(28(23,24)25)11-5-4-9(12)15(8)16(10)11;;;/h1-7H,(H,17,18,19)(H,20,21,22)(H,23,24,25);;;/q;3*+1/p-3


name: 2-(methyloctadecylamino)propanol
cas: 85154-20-7
dtxsid: DTXSID901005604
formula: C22H47NO
inchikey: RDYPPOMZYCGGIN-UHFFFAOYSA-N
norman_susdat_id: NS00064199
pubchem_cid: 21149629
smiles: OCC(N(C)CCCCCCCCCCCCCCCCCC)C
inchi:
InChI=1/C22H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(3)22(2)21-24/h22,24H,4-21H2,1-3H3


name: Ls-193902
cas: 851546-61-7
formula: C21H18ClNO3
inchikey: DIEPFYNZGUUVHD-UHFFFAOYSA-N
norman_susdat_id: NS00071830
pubchem_cid: 12004316
smiles: O=C(O)c1c(O)c(Cc2ccc(Cl)cc2)nc2c3c(ccc12)CCCC3
inchi:
InChI=1S/C21H18ClNO3/c22-14-8-5-12(6-9-14)11-17-20(24)18(21(25)26)16-10-7-13-3-1-2-4-15(13)19(16)23-17/h5-10,24H,1-4,11H2,(H,25,26)


cas: 851627-62-8
dtxsid: DTXSID001005607
formula: C14H20BrN4O12PS
inchikey: GZSOKPMDWVRVMG-UHFFFAOYSA-N
norman_susdat_id: NS00072507
smiles: CS(=O)(=O)OCCN(CCBr)c1c(C(=O)NCCOP(=O)(O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]
name:
2-[(2-Bromoethyl){2-[(methanesulfonyl)oxy]ethyl}amino]-3,5-dinitro-N-[2-(phosphonooxy)ethyl]benzene-1-carboximidic acid

inchi:
InChI=1S/C14H20BrN4O12PS/c1-33(28,29)31-7-5-17(4-2-15)13-11(14(20)16-3-6-30-32(25,26)27)8-10(18(21)22)9-12(13)19(23)24/h8-9H,2-7H2,1H3,(H,16,20)(H2,25,26,27)


name: Potassium 3-(3-methylphenoxy)propanesulphonate
cas: 85163-59-3
dtxsid: DTXSID70234315
formula: C10H14O4S
inchikey: GFTRJCLKQXPKHK-UHFFFAOYSA-M
norman_susdat_id: NS00063683
pubchem_cid: 3020466
smiles: [K+].O=S(=O)([O-])CCCOC1=CC=CC(=C1)C
inchi:
InChI=1/C10H14O4S.K/c1-9-4-2-5-10(8-9)14-6-3-7-15(11,12)13;/h2,4-5,8H,3,6-7H2,1H3,(H,11,12,13);/q;+1/p-1


name: Inositol 1,4,5-trisphosphate
cas: 85166-31-0
chebiid: CHEBI:16595
dtxsid: DTXSID90868999
formula: C6H15O15P3
inchikey: MMWCIQZXVOZEGG-XJTPDSDZSA-N
norman_susdat_id: NS00069766
pubchem_cid: 439456
smiles: O=P(O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1


name: L-tryptophan, compound with 5-oxo-DL-proline (1:1)
cas: 85168-74-7
formula: C11H12N2O2.C5H7NO3
inchikey: UNVNSUTYXMJECP-SCKZZFMESA-N
norman_susdat_id: NS00091824
smiles: N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.OC(=O)[C@@H]3CCC(=O)N3
inchi:
InChI=1/C11H12N2O2.C5H7NO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;7-4-2-1-3(6-4)5(8)9/h1-4,6,9,13H,5,12H2,(H,14,15);3H,1-2H2,(H,6,7)(H,8,9)


name: Isodecyl isononyl phthalate
cas: 85168-75-8
chemspiderid: 34997131
dtxsid: DTXSID30234316
formula: C27H44O4
inchikey: KCQILOGVXGLBNG-UHFFFAOYSA-N
norman_susdat_id: NS00038816
pubchem_cid: 44146763
smiles: CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C
inchi:
InChI=1S/C27H44O4/c1-22(2)16-10-6-5-8-14-20-30-26(28)24-18-12-13-19-25(24)27(29)31-21-15-9-7-11-17-23(3)4/h12-13,18-19,22-23H,5-11,14-17,20-21H2,1-4H3


name: Isononyl isotridecyl phthalate
cas: 85168-76-9
chemspiderid: 57514127
dtxsid: DTXSID90234317
formula: C30H50O4
inchikey: NFBXHPAYXLXNTB-UHFFFAOYSA-N
norman_susdat_id: NS00038817
pubchem_cid: 44151843
smiles: CC(C)CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C
inchi:
InChI=1S/C30H50O4/c1-25(2)19-13-9-7-5-6-8-11-17-23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-18-12-10-14-20-26(3)4/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3


name: Isodecyl isotridecyl phthalate
cas: 85168-77-0
chemspiderid: 11300725
dtxsid: DTXSID50234318
formula: C31H52O4
inchikey: CJUZLEPRTLYUCM-UHFFFAOYSA-N
norman_susdat_id: NS00038818
pubchem_cid: 22274721
smiles: CC(C)CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C31H52O4/c1-26(2)20-14-10-7-5-6-8-12-18-24-34-30(32)28-22-16-17-23-29(28)31(33)35-25-19-13-9-11-15-21-27(3)4/h16-17,22-23,26-27H,5-15,18-21,24-25H2,1-4H3


name: Isotridecyl isoundecyl phthalate
cas: 85168-78-1
chemspiderid: 57518930
dtxsid: DTXSID10234319
formula: C32H54O4
inchikey: VZRXANOBJIDWDV-UHFFFAOYSA-N
norman_susdat_id: NS00038819
pubchem_cid: 44149746
smiles: CC(C)CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCC(C)C
inchi:
InChI=1S/C32H54O4/c1-27(2)21-15-11-7-5-6-9-13-19-25-35-31(33)29-23-17-18-24-30(29)32(34)36-26-20-14-10-8-12-16-22-28(3)4/h17-18,23-24,27-28H,5-16,19-22,25-26H2,1-4H3


name: Isononyl isoundecyl phthalate
cas: 85168-79-2
chemspiderid: 57518931
dtxsid: DTXSID20234320
formula: C28H46O4
inchikey: RYGBVOASDMNHGN-UHFFFAOYSA-N
norman_susdat_id: NS00038820
pubchem_cid: 44153542
smiles: CC(C)CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C
inchi:
InChI=1S/C28H46O4/c1-23(2)17-11-7-5-6-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3


name: Heptachlorodiacenaphtho[1,2-j:1',2'-l]fluoranthene
cas: 85168-81-6
dtxsid: DTXSID401005611
formula: C36H11Cl7
inchikey: FTGAEJSIBWVSII-UHFFFAOYSA-N
norman_susdat_id: NS00065042
pubchem_cid: NA
inchi:
InChI=1/C36H11Cl7/c37-17-11-10-13-6-3-9-16-19(13)23(17)24-22(16)20-14-7-1-4-12-5-2-8-15(18(12)14)21(20)25-26(24)29-27-28(25)31(38)35(42)33(40)30(27)34(41)36(43)32(29)39/h1-11H

smiles:
ClC1=CC=C2C=CC=C3C2=C1C4=C3C=5C6=CC=CC=7C=CC=C(C76)C5C=8C=9C(Cl)=C(Cl)C(Cl)=C%10C(Cl)=C(Cl)C(Cl)=C(C%109)C48


name: Octachlorodiacenaphtho[1,2-j:1',2'-l]fluoranthene
cas: 85168-82-7
dtxsid: DTXSID101005612
formula: C36H10Cl8
inchikey: HBFUDAZFHLMERM-UHFFFAOYSA-N
norman_susdat_id: NS00065043
pubchem_cid: NA
inchi:
InChI=1/C36H10Cl8/c37-16-10-12-6-3-9-15-18(12)26(30(16)38)22-21(15)19-13-7-1-4-11-5-2-8-14(17(11)13)20(19)23-24(22)28-25-27(23)31(39)35(43)33(41)29(25)34(42)36(44)32(28)40/h1-10H

smiles:
ClC=1C=C2C=CC=C3C2=C(C1Cl)C4=C3C=5C6=CC=CC=7C=CC=C(C76)C5C=8C=9C(Cl)=C(Cl)C(Cl)=C%10C(Cl)=C(Cl)C(Cl)=C(C%109)C48


name: Pentanitrodiacenaphtho[1,2-j:1',2'-l]fluoranthene
cas: 85168-83-8
dtxsid: DTXSID801005613
formula: C36H18N5O10
inchikey: VLRYOGISCFCDIW-UHFFFAOYSA-N
norman_susdat_id: NS00063825
pubchem_cid: NA
inchi:
InChI=1/C36H13N5O10/c42-37(43)21-13-20-28-26-18-11-3-6-14-5-1-9-16(22(14)18)24(26)25-17-10-2-7-15-8-4-12-19(23(15)17)27(25)30(28)31-29(20)32(33(21)38(44)45)35(40(48)49)36(41(50)51)34(31)39(46)47/h1-13H

smiles:
O=[N+]([O-])C=1C=C2C3=C4C=5C=CC=C6C=CC=C(C65)C4=C7C8=CC=CC9=CC=CC(=C98)C7=C3C%10=C2C(C1[N+](=O)[O-])=C(C(=C%10[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


name: Bromochloroanthra[2,1,9-mna]benz[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione
cas: 85168-85-0
dtxsid: DTXSID201005615
formula: C31H12BrClN2O2
inchikey: SMTSNAZPKREMTG-UHFFFAOYSA-N
norman_susdat_id: NS00063826
pubchem_cid: NA
smiles: O=C1C=2C=CC=CC2C3=NN4C=5C=CC=6C7=C(Br)C(Cl)=CC=C7C(=O)C8=CC=C(C9=CC=C1C3=C94)C5C86
inchi:
InChI=1/C31H12BrClN2O2/c32-27-21(33)11-9-19-24(27)17-10-12-22-25-13(5-7-18(23(17)25)31(19)37)15-6-8-20-26-28(34-35(22)29(15)26)14-3-1-2-4-16(14)30(20)36/h1-12H


cas: 85168-96-3
formula: C69H78O15
inchikey: LUJXRCDTCHTUOW-UHFFFAOYSA-N
norman_susdat_id: NS00063707
pubchem_cid: 44150478
name:
1,1',1''-[benzene-1,3,5-triyltris(oxy)]tris[3-[4-[1-methyl-1-[4-(oxiranylmethoxy)phenyl]ethyl]phenoxy]propan-2-ol]

inchi:
InChI=1/C69H78O15/c1-67(2,49-13-25-58(26-14-49)79-40-64-43-82-64)46-7-19-55(20-8-46)73-34-52(70)37-76-61-31-62(77-38-53(71)35-74-56-21-9-47(10-22-56)68(3,4)50-15-27-59(28-16-50)80-41-65-44-83-65)33-63(32-61)78-39-54(72)36-75-57-23-11-48(12-24-57)69(5,6)51-17-29-60(30-18-51)81-42-66-45-84-66/h7-33,52-54,64-66,70-72H,34-45H2,1-6H3

smiles:
OC(COC1=CC=C(C=C1)C(C2=CC=C(OCC3OC3)C=C2)(C)C)COC=4C=C(OCC(O)COC5=CC=C(C=C5)C(C6=CC=C(OCC7OC7)C=C6)(C)C)C=C(OCC(O)COC8=CC=C(C=C8)C(C9=CC=C(OCC%10OC%10)C=C9)(C)C)C4


name: 1-[[[5-[(2-hydroxypropyl)amino]-1,3,3-trimethylcyclohexyl]methyl]amino]propan-2-ol
cas: 85168-97-4
dtxsid: DTXSID901005616
formula: C16H34N2O2
inchikey: JTURHGQTASTBFY-UHFFFAOYSA-N
norman_susdat_id: NS00065065
pubchem_cid: 3020474
smiles: OC(C)CNCC1(C)CC(NCC(O)C)CC(C)(C)C1
inchi:
InChI=1/C16H34N2O2/c1-12(19)8-17-11-16(5)7-14(18-9-13(2)20)6-15(3,4)10-16/h12-14,17-20H,6-11H2,1-5H3


name: 3,7-diaminophenothiazin-5-ium thiocyanate
cas: 85168-99-6
formula: C12H10N3S.CNS
inchikey: ZJBKVOBFNICJRV-UHFFFAOYSA-M
norman_susdat_id: NS00091838
smiles: Nc1ccc2nc3ccc(N)cc3[s+]c2c1.[S-]C#N
inchi:
InChI=1/C12H10N3S.CHNS/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;2-1-3/h1-6H,13-14H2;3H/q+1;/p-1


name: 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium iodide
cas: 85169-00-2
formula: C15H16N3S.I
inchikey: JSEURZUBQKLHQV-UHFFFAOYSA-M
norman_susdat_id: NS00092031
smiles: [I-].CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C
inchi:
InChI=1/C15H16N3S.HI/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;/h4-9,16H,1-3H3;1H/q+1;/p-1


name: 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium thiocyanate
cas: 85169-01-3
formula: C15H16N3S.CNS
inchikey: JDWDPHMDAOSSGZ-UHFFFAOYSA-M
norman_susdat_id: NS00092469
smiles: CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.[S-]C#N
inchi:
InChI=1/C15H16N3S.CHNS/c1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;2-1-3/h4-9,16H,1-3H3;3H/q+1;/p-1


name: N-[2-(diethylamino)ethyl]-2-methoxy-4-nitrobenzamide monohydrochloride
cas: 85169-04-6
formula: C14H22N3O4
inchikey: JNMIIFCQCUVHIE-UHFFFAOYSA-N
norman_susdat_id: NS00065066
pubchem_cid: 21156148
smiles: Cl.O=C(NCCN(CC)CC)C1=CC=C(C=C1OC)[N+](=O)[O-]
inchi:
InChI=1/C14H21N3O4.ClH/c1-4-16(5-2)9-8-15-14(18)12-7-6-11(17(19)20)10-13(12)21-3;/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,18);1H


name: Citric acid, manganese sodium salt
cas: 85169-06-8
formula: C6H8O7.xMn.xNa
inchikey: INNRVLGYPQVNDN-UHFFFAOYSA-N
norman_susdat_id: NS00091839
smiles: [Mn].[NaH].O=C(O)CC(O)(CC(=O)O)C(O)=O
inchi:
InChI=1/C6H8O7.Mn.Na.H/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;+2;+1;/rC6H8O7.Mn.HNa/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);;1H/q;+2;+1


name: Ethyl 4-[[4-[bis[2-(acetyloxy)ethyl]amino]-2-[(1-oxopropyl)amino]phenyl]azo]-5-cyanosalicylate
cas: 85169-12-6
formula: C27H31N5O8
inchikey: RZVOOHWHJIPSJP-UHFFFAOYSA-N
norman_susdat_id: NS00063828
pubchem_cid: 3020477
smiles: N#CC1=CC(C(=O)OCC)=C(O)C=C1N=NC2=CC=C(C=C2NC(=O)CC)N(CCOC(=O)C)CCOC(=O)C
inchi:
InChI=1/C27H31N5O8/c1-5-26(36)29-24-14-20(32(9-11-39-17(3)33)10-12-40-18(4)34)7-8-22(24)30-31-23-15-25(35)21(13-19(23)16-28)27(37)38-6-2/h7-8,13-15,35H,5-6,9-12H2,1-4H3,(H,29,36)


name: N-(3-((Phenylamino)sulphonyl)phenyl)acetamide
cas: 85169-25-1
chemspiderid: 2287364
dtxsid: DTXSID50234338
formula: C14H14N2O3S1
inchikey: VCVHGNYXAKLDLO-UHFFFAOYSA-N
norman_susdat_id: NS00038833
pubchem_cid: 3020482
smiles: CC(=O)Nc1cc(ccc1)S(=O)(=O)Nc1ccccc1
inchi:
InChI=1S/C14H14N2O3S/c1-11(17)15-13-8-5-9-14(10-13)20(18,19)16-12-6-3-2-4-7-12/h2-10,16H,1H3,(H,15,17)


name: Ammonium sodium 4,4'-bis[[4-amino-6-anilino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
cas: 85169-38-6
formula: C32H28N12O6S2.xH3N.xNa
inchikey: ZLQVYXZYNQJMIS-YHPRVSEPSA-M
norman_susdat_id: NS00092762
inchi:
InChI=1/C32H28N12O6S2.H3N.Na/c33-27-39-29(35-21-7-3-1-4-8-21)43-31(41-27)37-23-15-13-19(25(17-23)51(45,46)47)11-12-20-14-16-24(18-26(20)52(48,49)50)38-32-42-28(34)40-30(44-32)36-22-9-5-2-6-10-22;;/h1-18H,(H,45,46,47)(H,48,49,50)(H4,33,35,37,39,41,43)(H4,34,36,38,40,42,44);1H3;/q;;+1/p-1

smiles:
[NH4+].[Na+].Nc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(N)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1


name: Dimethylbis[2-[(1-oxododecyl)oxy]ethyl]ammonium methyl phosphonate
cas: 85169-42-2
dtxsid: DTXSID701005622
formula: C30H60NO4
inchikey: KVNSVZFPQLOXDH-UHFFFAOYSA-M
norman_susdat_id: NS00065578
pubchem_cid: 44152126
smiles: O=C(OCC[N+](C)(C)CCOC(=O)CCCCCCCCCCC)CCCCCCCCCCC.O=P([O-])OC
inchi:
InChI=1/C30H60NO4.CH5O3P/c1-5-7-9-11-13-15-17-19-21-23-29(32)34-27-25-31(3,4)26-28-35-30(33)24-22-20-18-16-14-12-10-8-6-2;1-4-5(2)3/h5-28H2,1-4H3;5H,1H3,(H,2,3)/q+1;/p-1


name: OC-000459
cas: 851723-84-7
dtxsid: DTXSID00234343
formula: C21H17FN2O2
inchikey: FATGTHLOZSXOBC-UHFFFAOYSA-N
norman_susdat_id: NS00072499
pubchem_cid: 11462174
smiles: Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(=O)O
inchi:
InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)


cas: 85177-88-4
dtxsid: DTXSID90881002
norman_susdat_id: NS00111968
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, polymer with 1,1,1,2,3,3,3-heptafluoro-2-(trifluoroethenyl)oxypropane and tetrafluoroethene


name: 1,12-Octadecanediol, phosphate
cas: 85186-51-2
dtxsid: DTXSID001005633
formula: C18H39O5P
inchikey: UDHNIRZAIKCYBY-UHFFFAOYSA-L
norman_susdat_id: NS00066360
pubchem_cid: NA
smiles: O=P([O-])([O-])OCCCCCCCCCCCC(O)CCCCCC
inchi:
InChI=1/C18H39O5P/c1-2-3-4-12-15-18(19)16-13-10-8-6-5-7-9-11-14-17-23-24(20,21)22/h18-19H,2-17H2,1H3,(H2,20,21,22)/p-2


name: a-[3-(2,2,3-trimethylcyclopentyl)propyl]benzyl alcohol
cas: 85187-16-2
dtxsid: DTXSID101005636
formula: C18H28O
inchikey: RRRMRASQZQTKRU-UHFFFAOYSA-N
norman_susdat_id: NS00066364
pubchem_cid: 3020488
smiles: OC(C=1C=CC=CC1)CCCC2CCC(C)C2(C)C
inchi:
InChI=1/C18H28O/c1-14-12-13-16(18(14,2)3)10-7-11-17(19)15-8-5-4-6-9-15/h4-6,8-9,14,16-17,19H,7,10-13H2,1-3H3


cas: 85187-17-3
formula: C12HF25O3S.K
inchikey: YYQFDGJQJNTHTO-UHFFFAOYSA-M
norman_susdat_id: NS00092794
name:
Potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane-1-sulphonate

inchi:
InChI=1/C12HF25O3S.K/c13-1(14,3(17,18)5(21,22)7(25,26)9(29,30)11(33,34)35)2(15,16)4(19,20)6(23,24)8(27,28)10(31,32)12(36,37)41(38,39)40;/h(H,38,39,40);/q;+1/p-1

smiles:
[K+].[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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 12,12-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,5,8,11,13,16,19,22-octaoxa-12-silatricosane
cas: 85187-19-5
dtxsid: DTXSID20234365
formula: C28H60O16Si
inchikey: DYBLTIAFXZBWPG-UHFFFAOYSA-N
norman_susdat_id: NS00064242
pubchem_cid: 17966139
smiles: O(C)CCOCCOCCO[Si](OCCOCCOCCOC)(OCCOCCOCCOC)OCCOCCOCCOC
inchi:
InChI=1/C28H60O16Si/c1-29-5-9-33-13-17-37-21-25-41-45(42-26-22-38-18-14-34-10-6-30-2,43-27-23-39-19-15-35-11-7-31-3)44-28-24-40-20-16-36-12-8-32-4/h5-28H2,1-4H3


name: Potassium p-[(p-aminophenyl)azo]benzenesulphonate
cas: 85187-24-2
formula: C12H11N3O3S.K
inchikey: AWSNBLMLYDFJLF-UHFFFAOYSA-M
norman_susdat_id: NS00091853
smiles: [K+].[O-]S(=O)(=O)c2ccc(N=Nc1ccc(N)cc1)cc2
inchi:
InChI=1/C12H11N3O3S.K/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)19(16,17)18;/h1-8H,13H2,(H,16,17,18);/q;+1/p-1


name: 1-[[1-benzyl-4,5-dihydro-5-oxo-1H-pyrazol-3-yl]amino]-1-oxodocosane-2-sulphonic acid
cas: 85187-25-3
dtxsid: DTXSID201005639
formula: C32H53N3O5S
inchikey: OTTPKZJATIFDTG-UHFFFAOYSA-N
norman_susdat_id: NS00065087
pubchem_cid: 3020494
smiles: O=C1N(N=C(NC(=O)C(CCCCCCCCCCCCCCCCCCCC)S(=O)(=O)O)C1)CC=2C=CC=CC2
inchi:
InChI=1/C32H53N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29(41(38,39)40)32(37)33-30-26-31(36)35(34-30)27-28-23-20-19-21-24-28/h19-21,23-24,29H,2-18,22,25-27H2,1H3,(H,33,34,37)(H,38,39,40)


name: (S)-N,N-diethyl-1-(4-fluorobenzoyl)-5-oxopyrrolidine-2-carboxamide
cas: 85187-26-4
dtxsid: DTXSID501005640
formula: C16H19FN2O3
inchikey: UWCLQNOADLPZHJ-ZDUSSCGKSA-N
norman_susdat_id: NS00063759
pubchem_cid: 21149631
smiles: O=C(C1=CC=C(F)C=C1)N2C(=O)CCC2C(=O)N(CC)CC
inchi:
InChI=1/C16H19FN2O3/c1-3-18(4-2)16(22)13-9-10-14(20)19(13)15(21)11-5-7-12(17)8-6-11/h5-8,13H,3-4,9-10H2,1-2H3


name: (S)-N,N-Dihexyl-5-oxopyrrolidine-2-carboxamide
cas: 85187-30-0
chemspiderid: 93508
dtxsid: DTXSID60234369
formula: C17H32N2O2
inchikey: OVTOJTYOERMOBJ-HNNXBMFYSA-N
norman_susdat_id: NS00038837
pubchem_cid: 21117842
smiles: CCCCCCN(CCCCCC)C(=O)C1CCC(=O)N1
inchi:
InChI=1S/C17H32N2O2/c1-3-5-7-9-13-19(14-10-8-6-4-2)17(21)15-11-12-16(20)18-15/h15H,3-14H2,1-2H3,(H,18,20)/t15-/m0/s1


name: (S)-5-Oxo-N,N-dipentylpyrrolidine-2-carboxamide
cas: 85187-31-1
chemspiderid: 93509
dtxsid: DTXSID70234370
formula: C15H28N2O2
inchikey: PVKBSNQSHLPBAK-ZDUSSCGKSA-N
norman_susdat_id: NS00038838
pubchem_cid: 21117843
smiles: CCCCCN(CCCCC)C(=O)C1CCC(=O)N1
inchi:
InChI=1S/C15H28N2O2/c1-3-5-7-11-17(12-8-6-4-2)15(19)13-9-10-14(18)16-13/h13H,3-12H2,1-2H3,(H,16,18)/t13-/m1/s1


cas: 85187-33-3
formula: C26H21BrN4O9S3.2Na
inchikey: QTUYUTJUQCCNBJ-UHFFFAOYSA-L
norman_susdat_id: NS00091797
name:
Disodium 6-amino-5-[[4-[(2-bromo-1-oxoallyl)amino]-2-[(4-methyl-3-sulphonatophenyl)sulphonyl]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C26H21BrN4O9S3.2Na/c1-14-3-6-18(13-23(14)43(38,39)40)41(33,34)24-12-17(29-26(32)15(2)27)5-10-22(24)30-31-25-20-8-7-19(42(35,36)37)11-16(20)4-9-21(25)28;;/h3-13H,2,28H2,1H3,(H,29,32)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2

smiles:
[Na+].[Na+].[O-]S(=O)(=O)c1cc(ccc1C)S(=O)(=O)c4cc(NC(=O)C(Br)=C)ccc4N=Nc2c3ccc(cc3ccc2N)S([O-])(=O)=O


name: 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole hydrobromide
cas: 85187-35-5
formula: C14H14Cl2N2O.BrH
inchikey: HIOIXMLFWXLHOY-UHFFFAOYSA-N
norman_susdat_id: NS00092050
smiles: Br.Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1
inchi:
InChI=1/C14H14Cl2N2O.BrH/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16;/h2-6,8,10,14H,1,7,9H2;1H


name: Formic acid, compound with 2,4,6-tris[(dimethylamino)methyl]phenol (3:1)
cas: 85187-38-8
formula: C15H27N3O.3CH2O2
inchikey: ADWLCJZOIHORGX-UHFFFAOYSA-N
norman_susdat_id: NS00091864
smiles: CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1.OC=O.OC=O.OC=O
inchi:
InChI=1/C15H27N3O.3CH2O2/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6;3*2-1-3/h7-8,19H,9-11H2,1-6H3;3*1H,(H,2,3)


name: 1-[[[3-(aminomethyl)phenyl]methyl]amino]-3-phenoxypropan-2-ol
cas: 85187-39-9
dtxsid: DTXSID701005646
formula: C17H22N2O2
inchikey: ZPFBSOGXAYWMTR-UHFFFAOYSA-N
norman_susdat_id: NS00063760
pubchem_cid: 3020498
smiles: OC(COC=1C=CC=CC1)CNCC=2C=CC=C(C2)CN
inchi:
InChI=1/C17H22N2O2/c18-10-14-5-4-6-15(9-14)11-19-12-16(20)13-21-17-7-2-1-3-8-17/h1-9,16,19-20H,10-13,18H2


name: 1,1'-[m-phenylenebis(methyleneimino)]bis[3-phenoxypropan-2-ol]
cas: 85187-40-2
dtxsid: DTXSID401005647
formula: C26H32N2O4
inchikey: MNGXXCXCQQWXAW-UHFFFAOYSA-N
norman_susdat_id: NS00065088
pubchem_cid: 57354509
smiles: OC(COC=1C=CC=CC1)CNCC2=CC=CC(=C2)CNCC(O)COC=3C=CC=CC3
inchi:
InChI=1/C26H32N2O4/c29-23(19-31-25-10-3-1-4-11-25)17-27-15-21-8-7-9-22(14-21)16-28-18-24(30)20-32-26-12-5-2-6-13-26/h1-14,23-24,27-30H,15-20H2


name: Potassium sodium 2-hydroxypropane-1,2,3-tricarboxylate(3:3:2)
cas: 85187-43-5
formula: C6H8O7.3/2K.3/2Na
inchikey: ZPUYHWJFANZUIT-UHFFFAOYSA-H
norman_susdat_id: NS00091798
inchi:
InChI=1/2C6H8O7.3K.3Na.6H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;;;;;;/q;;6*+1;;;;;;/p-6/r2C6H8O7.3HK.3HNa/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);6*1H/q;;6*+1/p-6

smiles:
[NaH].[NaH].[NaH].[KH].[KH].[KH].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]


name: Ethyl 4-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-3-nitrobenzoate
cas: 85187-46-8
formula: C19H23N4O6
inchikey: MFJQDORQIYGGNT-UHFFFAOYSA-N
norman_susdat_id: NS00064246
pubchem_cid: 3020499
smiles: O=C(OCC)C1=CC=C(N=NC2=CC=C(C=C2)N(CCO)CCO)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C19H22N4O6/c1-2-29-19(26)14-3-8-17(18(13-14)23(27)28)21-20-15-4-6-16(7-5-15)22(9-11-24)10-12-25/h3-8,13,24-25H,2,9-12H2,1H3


name: 2,2-dimethylpropane-1,3-diyl methylcyclohex-4-ene-1,2-dicarboxylate
cas: 85187-50-4
dtxsid: DTXSID501005652
formula: C23H32O8
inchikey: YWOLXMWBDWZDGN-UHFFFAOYSA-M
norman_susdat_id: NS00063761
pubchem_cid: NA
smiles: O=C([O-])C1CC=CCC1(C(=O)OCC(C)(C)COC(=O)C2(C)CC=CCC2C(=O)O)C
inchi:
InChI=1/C23H32O8/c1-21(2,13-30-19(28)22(3)11-7-5-9-15(22)17(24)25)14-31-20(29)23(4)12-8-6-10-16(23)18(26)27/h5-8,15-16H,9-14H2,1-4H3,(H,24,25)(H,26,27)/p-1


name: N,N'-((Acetylimino)diethane-2,1-diyl)bishexadecan-1-amide
cas: 85187-59-3
chemspiderid: 21164724
dtxsid: DTXSID70234375
formula: C38H75N3O3
inchikey: XWMRAHYRLADCRD-UHFFFAOYSA-N
norman_susdat_id: NS00038839
pubchem_cid: 44150879
smiles: CCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCC)C(=O)C
inchi:
InChI=1S/C38H75N3O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37(43)39-32-34-41(36(3)42)35-33-40-38(44)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-35H2,1-3H3,(H,39,43)(H,40,44)


name: N-(2-(Acetylamino)ethyl)-N-(2-((1-oxohexadecyl)amino)ethyl)hexadecan-1-amide
cas: 85187-60-6
chemspiderid: 2287380
dtxsid: DTXSID30234376
formula: C38H75N3O3
inchikey: SMIOMPTWIHHAGO-UHFFFAOYSA-N
norman_susdat_id: NS00038840
pubchem_cid: 3020501
smiles: CCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)C)C(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C38H75N3O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37(43)40-33-35-41(34-32-39-36(3)42)38(44)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-35H2,1-3H3,(H,39,42)(H,40,43)


name: N,N'-((Acetylimino)diethane-1,2-diyl)distearamide
cas: 85187-61-7
chemspiderid: 21164725
dtxsid: DTXSID90234377
formula: C42H83N3O3
inchikey: VCQYHVFEMBIZQT-UHFFFAOYSA-N
norman_susdat_id: NS00038841
pubchem_cid: 44151174
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)C
inchi:
InChI=1S/C42H83N3O3/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-41(47)43-36-38-45(40(3)46)39-37-44-42(48)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-39H2,1-3H3,(H,43,47)(H,44,48)


name: 3-Hexadecyl-1,1-bis(2-hydroxyethyl)urea
cas: 85187-62-8
chemspiderid: 2287381
dtxsid: DTXSID50234378
formula: C21H44N2O3
inchikey: IXWWIWYEZFJLLD-UHFFFAOYSA-N
norman_susdat_id: NS00038842
pubchem_cid: 3020502
smiles: CCCCCCCCCCCCCCCCNC(=O)N(CCO)CCO
inchi:
InChI=1S/C21H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-21(26)23(17-19-24)18-20-25/h24-25H,2-20H2,1H3,(H,22,26)


cas: 85187-70-8
formula: C36H36N12O8S2.xK.xNa
inchikey: BMDXUVOQVCRLAN-YHPRVSEPSA-L
norman_susdat_id: NS00091800
name:
Potassium sodium 4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C36H36N12O8S2.K.Na/c49-19-17-37-31-43-33(39-25-7-3-1-4-8-25)47-35(45-31)41-27-15-13-23(29(21-27)57(51,52)53)11-12-24-14-16-28(22-30(24)58(54,55)56)42-36-46-32(38-18-20-50)44-34(48-36)40-26-9-5-2-6-10-26;;/h1-16,21-22,49-50H,17-20H2,(H,51,52,53)(H,54,55,56)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;/q;2*+1/p-2

smiles:
[Na+].[K+].OCCNc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(NCCO)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1


name: Bis[5-(dimethylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium] sulphate
cas: 85187-77-5
formula: C13H19N6S.1/2O4S
inchikey: JYJKZYFNHUSIDY-UHFFFAOYSA-L
norman_susdat_id: NS00091666
smiles: C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C)C.[O-]S([O-])(=O)=O.CN(C)c1ccc(cc1)N=Nc2sc(n[n+]2C)N(C)C
inchi:
InChI=1/2C13H19N6S.H2O4S/c2*1-17(2)11-8-6-10(7-9-11)14-15-12-19(5)16-13(20-12)18(3)4;1-5(2,3)4/h2*6-9H,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2


name: 2-[4-[(4-ethoxyphenyl)methylamino]phenyl]-1-ethylbenz[cd]indolium acetate
cas: 85187-78-6
formula: C28H27N2O.C2H3O2
inchikey: SXOULAMQADMMTC-UHFFFAOYSA-N
norman_susdat_id: NS00091525
smiles: CCOc1ccc(CNc2ccc(cc2)C3=[N+](CC)c4cccc5cccc3c45)cc1.CC(=O)[O-]
inchi:
InChI=1/C28H26N2O.C2H4O2/c1-3-30-26-10-6-8-21-7-5-9-25(27(21)26)28(30)22-13-15-23(16-14-22)29-19-20-11-17-24(18-12-20)31-4-2;1-2(3)4/h5-18H,3-4,19H2,1-2H3;1H3,(H,3,4)


name: 2-[4-[(4-ethoxyphenyl)methylamino]phenyl]-1-ethylbenz[cd]indolium sulphate (2:1)
cas: 85187-79-7
formula: C28H27N2O.1/2O4S
inchikey: DWRCEEZIOFFNEN-UHFFFAOYSA-N
norman_susdat_id: NS00091526
inchi:
InChI=1/2C28H26N2O.H2O4S/c2*1-3-30-26-10-6-8-21-7-5-9-25(27(21)26)28(30)22-13-15-23(16-14-22)29-19-20-11-17-24(18-12-20)31-4-2;1-5(2,3)4/h2*5-18H,3-4,19H2,1-2H3;(H2,1,2,3,4)

smiles:
CCOc1ccc(CNc2ccc(cc2)C3=[N+](CC)c4cccc5cccc3c45)cc1.CCOc6ccc(CNc7ccc(cc7)C8=[N+](CC)c9cccc%10cccc8c9%10)cc6.[O-]S(=O)(=O)[O-]


name: 2-[4-[(4-ethoxyphenyl)methylamino]phenyl]-1-ethylbenz[cd]indolium hydrogen sulphate
cas: 85187-80-0
formula: C28H27N2O.HO4S
inchikey: AKHPOUIOBIMPKV-UHFFFAOYSA-M
norman_susdat_id: NS00091527
smiles: CCOc1ccc(CNc2ccc(cc2)C3=[N+](CC)c4cccc5cccc3c45)cc1.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C28H26N2O.H2O4S/c1-3-30-26-10-6-8-21-7-5-9-25(27(21)26)28(30)22-13-15-23(16-14-22)29-19-20-11-17-24(18-12-20)31-4-2;1-5(2,3)4/h5-18H,3-4,19H2,1-2H3;(H2,1,2,3,4)/p-1


name: 2-[4-[(4-ethoxyphenyl)methylamino]phenyl]-1-ethylbenz[cd]indolium methyl sulphate
cas: 85187-81-1
dtxsid: DTXSID301005656
formula: C28H27N2O
inchikey: NWIMVKUKXLMMOZ-UHFFFAOYSA-M
norman_susdat_id: NS00063766
pubchem_cid: 44154052
smiles: O=S(=O)([O-])OC.O(C1=CC=C(C=C1)N(C=2C=CC(=CC2)C=3C4=CC=CC=5C=CC=C(C54)[N+]3CC)C)CC
inchi:
InChI=1/C28H27N2O.CH4O4S/c1-4-30-26-11-7-9-20-8-6-10-25(27(20)26)28(30)21-12-14-22(15-13-21)29(3)23-16-18-24(19-17-23)31-5-2;1-5-6(2,3)4/h6-19H,4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate
cas: 85187-82-2
formula: C23H26N3.CH3O4S
inchikey: YCGIYKJTOOCUTE-UHFFFAOYSA-M
norman_susdat_id: NS00092274
smiles: COS(=O)(=O)[O-].CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1
inchi:
InChI=1/C23H26N3.CH4O4S/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;1-5-6(2,3)4/h5-6,8-15H,7,17H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium hydrogen oxalate
cas: 85187-83-3
formula: C20H24N3O.C2HO4
inchikey: PHYFCAJASOJAJM-UHFFFAOYSA-N
norman_susdat_id: NS00091802
smiles: [H+].[O-]C(=O)C([O-])=O.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C
inchi:
InChI=1/C20H23N3O.C2H2O4.H2/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;3-1(4)2(5)6;/h5-12,14H,13H2,1-4H3;(H,3,4)(H,5,6);1H/q;;+1/p-1


name: 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate
cas: 85187-84-4
formula: C24H30ClN2.HO4S
inchikey: XRSIKGCNQLNUKF-UHFFFAOYSA-L
norman_susdat_id: NS00091667
smiles: CCN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C24H30ClN2.H2O4S/c1-6-27(16-15-25)20-13-11-19(18(2)17-20)12-14-23-24(3,4)21-9-7-8-10-22(21)26(23)5;1-5(2,3)4/h7-14,17H,6,15-16H2,1-5H3;(H2,1,2,3,4)/q+1;/p-2


name: 2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate
cas: 85187-86-6
formula: C22H25N2.CH3O4S
inchikey: CLIVLYVWXQCUJV-UHFFFAOYSA-M
norman_susdat_id: NS00091668
smiles: COS(=O)(=O)[O-].CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccccc4C3(C)C
inchi:
InChI=1/C22H25N2.CH4O4S/c1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4;1-5-6(2,3)4/h5-14,16H,15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 85187-87-7
formula: C20H23N4O3.H2O4P
inchikey: OAFOWXGMFSMGPK-UHFFFAOYSA-M
norman_susdat_id: NS00092275
smiles: [H+].[H+].[O-]P([O-])([O-])=O.COc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccc(cc2C3(C)C)[N+]([O-])=O
name:
2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-5-nitro-3H-indolium dihydrogen phosphate

inchi:
InChI=1/C20H23N4O3.H3O4P.2H2/c1-20(2)17-12-15(24(25)26)8-11-18(17)22(3)19(20)13-21-23(4)14-6-9-16(27-5)10-7-14;1-5(2,3)4;;/h6-13H,1-5H3;(H3,1,2,3,4);2*1H/q+1;;2*+1/p-3


name: 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium sulphate (2:1)
cas: 85187-88-8
formula: C22H26ClN2.1/2O4S
inchikey: AJSXYXQFLIXLSN-UHFFFAOYSA-L
norman_susdat_id: NS00092276
inchi:
InChI=1/2C22H26ClN2.H2O4S/c2*1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;1-5(2,3)4/h2*5-14H,15-16H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
CN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CN(CCCl)c4ccc(\C=C\C5=[N+](C)c6ccccc6C5(C)C)cc4.[O-]S(=O)(=O)[O-]


name: 4-[[(2,3-dihydro-2-methyl-1H-indol-1-yl)imino]methyl]-1-methylquinolinium sulphate (2:1)
cas: 85187-89-9
formula: C20H20N3.1/2O4S
inchikey: RKPKQBWXCAPEGM-UHFFFAOYSA-L
norman_susdat_id: NS00091534
smiles: [O-]S([O-])(=O)=O.C[n+]4ccc(C=NN1c2ccccc2CC1C)c3ccccc34.C[n+]4ccc(C=NN1c2ccccc2CC1C)c3ccccc34
inchi:
InChI=1/2C20H20N3.H2O4S/c2*1-15-13-16-7-3-5-9-19(16)23(15)21-14-17-11-12-22(2)20-10-6-4-8-18(17)20;1-5(2,3)4/h2*3-12,14-15H,13H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2


name: [2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium acetate
cas: 85187-90-2
formula: C20H25N6O2.C2H3O2
inchikey: JLEIKZKTIPUTCY-UHFFFAOYSA-M
norman_susdat_id: NS00091669
smiles: [O-]C(C)=O.C[N+](C)(C)CCN(CC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2
inchi:
InChI=1/C20H25N6O2.C2H4O2/c1-5-24(12-13-26(2,3)4)18-8-6-17(7-9-18)22-23-20-11-10-19(25(27)28)14-16(20)15-21;1-2(3)4/h6-11,14H,5,12-13H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


name: [2-[[4-[(2,6-dibromo-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium methyl sulphate
cas: 85187-91-3
formula: C19H24Br2N5O2.CH3O4S
inchikey: GQLKZUHALODMQA-UHFFFAOYSA-M
norman_susdat_id: NS00091803
smiles: Brc2cc(cc(Br)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S(=O)(=O)OC
inchi:
InChI=1/C19H24Br2N5O2.CH4O4S/c1-5-24(10-11-26(2,3)4)15-8-6-14(7-9-15)22-23-19-17(20)12-16(25(27)28)13-18(19)21;1-5-6(2,3)4/h6-9,12-13H,5,10-11H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 85187-92-4
formula: C28H33N6S.C2H3O2
inchikey: YKLXSRNQMPUILI-UHFFFAOYSA-M
norman_susdat_id: NS00091535
smiles: [O-]C(C)=O.C[N+](C)(Cc1ccccc1)CCN(CC)c4ccc(N=Nc2nc(ns2)c3ccccc3)c(C)c4
name:
Benzyl[2-[ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]dimethylammonium acetate

inchi:
InChI=1/C28H33N6S.C2H4O2/c1-5-33(18-19-34(3,4)21-23-12-8-6-9-13-23)25-16-17-26(22(2)20-25)30-31-28-29-27(32-35-28)24-14-10-7-11-15-24;1-2(3)4/h6-17,20H,5,18-19,21H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


cas: 85187-93-5
formula: C28H33N6S.HO4S
inchikey: HRGATKWLSMBUOJ-UHFFFAOYSA-M
norman_susdat_id: NS00091684
smiles: [H+].[O-]S([O-])(=O)=O.C[N+](C)(Cc1ccccc1)CCN(CC)c4ccc(N=Nc2nc(ns2)c3ccccc3)c(C)c4
name:
Benzyl[2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-m-tolyl]amino]ethyl]dimethylammonium hydrogen sulphate

inchi:
InChI=1/C28H33N6S.H2O4S.H2/c1-5-33(18-19-34(3,4)21-23-12-8-6-9-13-23)25-16-17-26(22(2)20-25)30-31-28-29-27(32-35-28)24-14-10-7-11-15-24;1-5(2,3)4;/h6-17,20H,5,18-19,21H2,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


name: [2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium hydrogen sulphate
cas: 85187-94-6
formula: C19H25ClN5O2.HO4S
inchikey: KPSLTTZHDWMICQ-UHFFFAOYSA-M
norman_susdat_id: NS00092277
smiles: [H+].Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S([O-])(=O)=O
inchi:
InChI=1/C19H25ClN5O2.H2O4S.H2/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20;1-5(2,3)4;/h6-11,14H,5,12-13H2,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


name: [2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium acetate
cas: 85187-95-7
formula: C19H25ClN5O2.C2H3O2
inchikey: ICJCWNOPJWXPER-UHFFFAOYSA-M
norman_susdat_id: NS00091804
smiles: Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]C(C)=O
inchi:
InChI=1/C19H25ClN5O2.C2H4O2/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20;1-2(3)4/h6-11,14H,5,12-13H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


cas: 85187-96-8
formula: C21H29ClN5O3.1/2O4S
inchikey: UUCHDBLMLHGFNC-UHFFFAOYSA-L
norman_susdat_id: NS00091813
name:
[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl](2-hydroxypropyl)dimethylammonium sulphate

inchi:
InChI=1/2C21H29ClN5O3.H2O4S/c2*1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22;1-5(2,3)4/h2*6-11,14,16,28H,5,12-13,15H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O.[O-]S([O-])(=O)=O.CC(O)C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc2ccc(cc2Cl)[N+]([O-])=O


cas: 85187-97-9
formula: C21H29ClN5O3.CH3O4S
inchikey: IJYPXDIDARYZFW-UHFFFAOYSA-M
norman_susdat_id: NS00092279
smiles: Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O.[O-]S(=O)(=O)OC
name:
[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl](2-hydroxypropyl)dimethylammonium methyl sulphate

inchi:
InChI=1/C21H29ClN5O3.CH4O4S/c1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22;1-5-6(2,3)4/h6-11,14,16,28H,5,12-13,15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 85187-98-0
formula: C21H29ClN5O3.H2O4P
inchikey: GUQQXIYHBBBEDA-UHFFFAOYSA-M
norman_susdat_id: NS00091814
smiles: [H+].[H+].Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O.[O-]P([O-])([O-])=O
name:
[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl](2-hydroxypropyl)dimethylammonium dihydrogen phosphate

inchi:
InChI=1/C21H29ClN5O3.H3O4P.2H2/c1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22;1-5(2,3)4;;/h6-11,14,16,28H,5,12-13,15H2,1-4H3;(H3,1,2,3,4);2*1H/q+1;;2*+1/p-3


name: [2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium acetate
cas: 85187-99-1
formula: C21H27N6S.C2H3O2
inchikey: GYQOGLTXNQTGML-UHFFFAOYSA-M
norman_susdat_id: NS00091685
smiles: [O-]C(C)=O.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc2nc(ns2)c3ccccc3
inchi:
InChI=1/C21H27N6S.C2H4O2/c1-5-26(15-16-27(2,3)4)19-13-11-18(12-14-19)23-24-21-22-20(25-28-21)17-9-7-6-8-10-17;1-2(3)4/h6-14H,5,15-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


cas: 85188-00-7
formula: C23H25N2.H2O4P
inchikey: CITSTZWAAIRKGY-UHFFFAOYSA-K
norman_susdat_id: NS00091815
smiles: CN(C)c1ccc(cc1)c2ccccc2C=C3C=CC(=[N+](C)C)C=C3.[O-]P(=O)([O-])[O-]
name:
Dimethyl[4-[[4-(dimethylamino)phenyl]benzylidene]-2,5-cyclohexadien-1-ylidene]ammonium phosphate (1:1)

inchi:
InChI=1/C23H25N2.H3O4P/c1-24(2)21-13-9-18(10-14-21)17-20-7-5-6-8-23(20)19-11-15-22(16-12-19)25(3)4;1-5(2,3)4/h5-17H,1-4H3;(H3,1,2,3,4)/q+1;/p-3


cas: 85188-01-8
formula: C22H23N3.H2O4S
inchikey: NNTWUNDCCWWXAJ-UHFFFAOYSA-L
norman_susdat_id: NS00091686
smiles: CC1=CC(=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3)C=CC1=N.[O-]S(=O)(=O)[O-]
name:
4-[(4-amino-3-methylphenyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine sulphate (1:1)

inchi:
InChI=1/C22H23N3.H2O4S/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;1-5(2,3)4/h4-12,23H,24-25H2,1-3H3;(H2,1,2,3,4)/p-2


name: Bis(4-[(4-amino-m-tolyl)(4-imino-3-methyl-2,5-cyclohexadien-1-ylidene)methyl]-o-toluidine) sulphate
cas: 85188-02-9
formula: C22H23N3.1/2H2O4S
inchikey: RYIDLCVNCSFERI-UHFFFAOYSA-N
norman_susdat_id: NS00091816
inchi:
InChI=1/2C22H23N3.H2O4S/c2*1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;1-5(2,3)4/h2*4-12,23H,24-25H2,1-3H3;(H2,1,2,3,4)

smiles:
CC1=CC(=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3)C=CC1=N.CC4=CC(=C(c5ccc(N)c(C)c5)c6ccc(N)c(C)c6)C=CC4=N.OS(=O)(=O)O


cas: 85188-03-0
formula: C22H23N3.CH4O4S
inchikey: XLTGMLYBPPSUKQ-UHFFFAOYSA-N
norman_susdat_id: NS00091687
smiles: COS(=O)(=O)O.CC1=CC(=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3)C=CC1=N
name:
Methyl hydrogen sulphate, compound with 4-[(4-amino-3-methylphenyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline (1:1)

inchi:
InChI=1/C22H23N3.CH4O4S/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;1-5-6(2,3)4/h4-12,23H,24-25H2,1-3H3;1H3,(H,2,3,4)


cas: 85188-04-1
formula: C22H23N3.H3O4P
inchikey: OINUUFPTMRUZFJ-UHFFFAOYSA-N
norman_susdat_id: NS00091688
smiles: CC1=CC(=C(c2ccc([NH3+])c(C)c2)c3ccc([NH3+])c(C)c3)C=CC1=[NH2+].[O-]P(=O)([O-])[O-]
name:
4-[(4-ammonio-3-methylphenyl)(4-iminio-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylanilinium phosphate

inchi:
InChI=1/C22H23N3.H3O4P/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;1-5(2,3)4/h4-12,23H,24-25H2,1-3H3;(H3,1,2,3,4)


cas: 85188-05-2
formula: C23H25N2.1/2O4S
inchikey: WGNZNVVTJXYDSZ-UHFFFAOYSA-L
norman_susdat_id: NS00091537
name:
Dimethyl[4-[[4-(dimethylamino)phenyl]benzylidene]-2,5-cyclohexadien-1-ylidene]ammonium sulphate (2:1)

inchi:
InChI=1/2C23H25N2.H2O4S/c2*1-24(2)21-13-9-18(10-14-21)17-20-7-5-6-8-23(20)19-11-15-22(16-12-19)25(3)4;1-5(2,3)4/h2*5-17H,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
CN(C)c1ccc(cc1)c2ccccc2C=C3C=CC(=[N+](C)C)C=C3.CN(C)c4ccc(cc4)c5ccccc5C=C6C=CC(=[N+](C)C)C=C6.[O-]S(=O)(=O)[O-]


name: 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline phosphate
cas: 85188-06-3
formula: C19H17N3.H3O4P
inchikey: XDPJNDDZHMJNRC-UHFFFAOYSA-N
norman_susdat_id: NS00091689
smiles: N=C\1/C=C\C(/C=C/1)=C(/c2ccc(N)cc2)c3ccc(N)cc3.OP(O)(=O)O
inchi:
InChI=1/C19H17N3.H3O4P/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;1-5(2,3)4/h1-12,20H,21-22H2;(H3,1,2,3,4)


cas: 85188-08-5
formula: C42H34N8O13S5
inchikey: JMHKEXZJGJFDNN-UHFFFAOYSA-M
norman_susdat_id: NS00066748
pubchem_cid: 91844491
name:
7-Benzothiazolesulfonic acid, 2,2'-[(2-sulfo-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo-4,1-phenylene]]bis[6-methyl-, sodium salt, compd. with 2,2',2''-[nitrilotris(2,1-ethanediyloxy)]tris[ethanol]

inchi:
InChI=1/C42H34N8O13S5.C12H27NO6.Na/c1-20-5-16-30-35(37(20)67(58,59)60)64-41(45-30)24-7-11-26(12-8-24)47-49-33(22(3)51)39(53)43-28-15-18-29(32(19-28)66(55,56)57)44-40(54)34(23(4)52)50-48-27-13-9-25(10-14-27)42-46-31-17-6-21(2)38(36(31)65-42)68(61,62)63;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;/h5-19,33-34H,1-4H3,(H,43,53)(H,44,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);14-16H,1-12H2;/q;;+1/p-1

smiles:
[Na+].O=C(NC1=CC=C(NC(=O)C(N=NC2=CC=C(C=C2)C3=NC4=CC=C(C(=C4S3)S(=O)(=O)[O-])C)C(=O)C)C(=C1)S(=O)(=O)O)C(N=NC5=CC=C(C=C5)C6=NC7=CC=C(C(=C7S6)S(=O)(=O)O)C)C(=O)C.OCCOCCN(CCOCCO)CCOCCO


name: Sodium 2,5-dichloro-4-[[4-(diethylamino)-o-tolyl]azo]benzenesulphonate
cas: 85188-09-6
formula: C17H19Cl2N3O3S.Na
inchikey: NURCUAFFHLSXNJ-UHFFFAOYSA-M
norman_susdat_id: NS00091690
smiles: [Na+].Clc2cc(c(Cl)cc2N=Nc1ccc(cc1C)N(CC)CC)S([O-])(=O)=O
inchi:
InChI=1/C17H19Cl2N3O3S.Na/c1-4-22(5-2)12-6-7-15(11(3)8-12)20-21-16-9-14(19)17(10-13(16)18)26(23,24)25;/h6-10H,4-5H2,1-3H3,(H,23,24,25);/q;+1/p-1


name: Disodium 6-amino-5-[(4-chloro-2-sulphonatophenyl)azo]-4-hydroxynaphthalene-2-sulphonate
cas: 85188-11-0
formula: C16H12ClN3O7S2
inchikey: MHPWAVWWZGMFKF-UHFFFAOYSA-L
norman_susdat_id: NS00064678
pubchem_cid: 135755692
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC3=CC=C(Cl)C=C3S(=O)(=O)[O-])=C1
inchi:
InChI=1/C16H12ClN3O7S2.2Na/c17-9-2-4-12(14(6-9)29(25,26)27)19-20-16-11(18)3-1-8-5-10(28(22,23)24)7-13(21)15(8)16;;/h1-7,21H,18H2,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2


cas: 85188-14-3
formula: C58H50N10O22S6
inchikey: GRURKBXRKWHRPA-PANWVLLISA-H
norman_susdat_id: NS00063456
pubchem_cid: 44153058
name:
Hexasodium 3,3'-azobis[6-[2-[4-[[2-methoxy-4-[(4-methoxy-3-sulphonatophenyl)azo]-5-methylphenyl]azo]-2-sulphonatophenyl]vinyl]benzenesulphonate]

inchi:
InChI=1/C58H50N10O22S6.6Na/c1-33-23-47(51(89-5)31-45(33)65-61-43-19-21-49(87-3)57(29-43)95(81,82)83)67-63-41-17-13-37(55(27-41)93(75,76)77)9-7-35-11-15-39(25-53(35)91(69,70)71)59-60-40-16-12-36(54(26-40)92(72,73)74)8-10-38-14-18-42(28-56(38)94(78,79)80)64-68-48-24-34(2)46(32-52(48)90-6)66-62-44-20-22-50(88-4)58(30-44)96(84,85)86;;;;;;/h7-32H,1-6H3,(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC(N=NC=2C=C(OC)C(N=NC3=CC=C(C=CC4=CC=C(N=NC5=CC=C(C=CC6=CC=C(N=NC7=CC(=C(N=NC8=CC=C(OC)C(=C8)S(=O)(=O)[O-])C=C7OC)C)C=C6S(=O)(=O)[O-])C(=C5)S(=O)(=O)[O-])C=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])=CC2C)=CC=C1OC


cas: 85188-15-4
formula: C44H40N8O16S4
inchikey: XLIHSGGDQBSOBC-KIYMPRSLSA-J
norman_susdat_id: NS00063185
pubchem_cid: 44148956
name:
Tetrasodium 4,4'-bis[[2-methoxy-4-[(4-methoxy-3-sulphonatophenyl)azo]-5-methylphenyl]azo]stilbene-2,2'-disulphonate

inchi:
InChI=1/C44H40N8O16S4.4Na/c1-25-17-35(39(67-5)23-33(25)49-45-31-13-15-37(65-3)43(21-31)71(59,60)61)51-47-29-11-9-27(41(19-29)69(53,54)55)7-8-28-10-12-30(20-42(28)70(56,57)58)48-52-36-18-26(2)34(24-40(36)68-6)50-46-32-14-16-38(66-4)44(22-32)72(62,63)64;;;;/h7-24H,1-6H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC(N=NC=2C=C(OC)C(N=NC3=CC=C(C=CC4=CC=C(N=NC5=CC(=C(N=NC6=CC=C(OC)C(=C6)S(=O)(=O)[O-])C=C5OC)C)C=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])=CC2C)=CC=C1OC


name: Sodium 2-[4-[[2,4-dihydroxy-5-(phenylazo)phenyl]azo]phenyl]-6-methylbenzothiazole-7-sulphonate
cas: 85188-16-5
formula: C26H19N5O5S2
inchikey: GNMOJAWGQFUNIW-UHFFFAOYSA-M
norman_susdat_id: NS00063457
pubchem_cid: 3020518
smiles: [Na+].O=S(=O)([O-])C=1C=2SC(=NC2C=CC1C)C3=CC=C(N=NC4=CC(N=NC=5C=CC=CC5)=C(O)C=C4O)C=C3
inchi:
InChI=1/C26H19N5O5S2.Na/c1-15-7-12-19-24(25(15)38(34,35)36)37-26(27-19)16-8-10-18(11-9-16)29-31-21-13-20(22(32)14-23(21)33)30-28-17-5-3-2-4-6-17;/h2-14,32-33H,1H3,(H,34,35,36);/q;+1/p-1


cas: 85188-17-6
formula: C33H22N6O5S3
inchikey: YGLGUUMAMNNUST-UHFFFAOYSA-M
norman_susdat_id: NS00064679
pubchem_cid: NA
name:
Sodium 2'-[4-[[2,4-dihydroxy-5-(phenylazo)phenyl]azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate

inchi:
InChI=1/C33H22N6O5S3.Na/c1-18-7-13-24-30(31(18)47(42,43)44)46-33(35-24)20-10-14-23-29(15-20)45-32(34-23)19-8-11-22(12-9-19)37-39-26-16-25(27(40)17-28(26)41)38-36-21-5-3-2-4-6-21;/h2-17,40-41H,1H3,(H,42,43,44);/q;+1/p-1

smiles:
[Na+].O=S(=O)([O-])C=1C=2SC(=NC2C=CC1C)C3=CC=C4N=C(SC4=C3)C5=CC=C(N=NC6=CC(N=NC=7C=CC=CC7)=C(O)C=C6O)C=C5


cas: 85188-21-2
formula: C29H23N9O8S.Na
inchikey: MZAKYBFUIJWZPG-UHFFFAOYSA-M
norman_susdat_id: NS00091692
smiles: [Na+].O=C5N\N=C(\C)C5N=Nc4ccc(NC(=O)c3ccc(N=Nc2cc(N=Nc1cc(ccc1O)S([O-])(=O)=O)c(O)cc2O)cc3)cc4
name:
Sodium 3-[[5-[[4-[[4-[(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo]anilino]carbonyl]phenyl]azo]-2,4-dihydroxyphenyl]azo]-4-hydroxybenzenesulphonate

inchi:
InChI=1/C29H23N9O8S.Na/c1-15-27(29(43)38-31-15)37-33-19-8-6-17(7-9-19)30-28(42)16-2-4-18(5-3-16)32-34-22-13-23(26(41)14-25(22)40)36-35-21-12-20(47(44,45)46)10-11-24(21)39;/h2-14,27,39-41H,1H3,(H,30,42)(H,38,43)(H,44,45,46);/q;+1/p-1


name: Sodium [(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl)amino]toluenesulphonate
cas: 85188-27-8
formula: C21H15NO6S
inchikey: LSBIMCPFJCFXQY-UHFFFAOYSA-M
norman_susdat_id: NS00064680
pubchem_cid: 3020523
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(O)C13)NC4=CC=CC(=C4S(=O)(=O)[O-])C
inchi:
InChI=1/C21H15NO6S.Na/c1-11-5-4-8-15(21(11)29(26,27)28)22-14-9-10-16(23)18-17(14)19(24)12-6-2-3-7-13(12)20(18)25;/h2-10,22-23H,1H3,(H,26,27,28);/q;+1/p-1


name: Sodium [(2,7-dihydro-3-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinolin-6-yl)amino]toluenesulphonate
cas: 85188-28-9
formula: C24H18N2O5S
inchikey: UPENJLFBEJXYNI-UHFFFAOYSA-M
norman_susdat_id: NS00063788
pubchem_cid: NA
smiles: [Na+].O=C1C=C2C=3C=CC=CC3C(=O)C=4C(=CC=C(C24)N1C)NC5=CC=CC(=C5S(=O)(=O)[O-])C
inchi:
InChI=1/C24H18N2O5S.Na/c1-13-6-5-9-18(24(13)32(29,30)31)25-17-10-11-19-21-16(12-20(27)26(19)2)14-7-3-4-8-15(14)23(28)22(17)21;/h3-12,25H,1-2H3,(H,29,30,31);/q;+1/p-1


name: MK-812
cas: 851916-42-2
chemspiderid: 9355896
dtxsid: DTXSID4047335
formula: C24H34F3N3O3
inchikey: MTMDXAIUENDNDL-RJSMDTJLSA-N
norman_susdat_id: NS00015687
pubchem_cid: 11180808
smiles: CC(C)C1(CCC(C1)NC2CCOCC2OC)C(=O)N3CCC4=NC=C(C=C4C3)C(F)(F)F
inchi:
InChI=1S/C24H34F3N3O3/c1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27/h10,12,15,18,20-21,29H,4-9,11,13-14H2,1-3H3/t18-,20+,21-,23+/m1/s1


name: N-{1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl}-4-[(trifluoromethyl)thio]benzamide
cas: 851976-50-6
chemspiderid: 9629125
formula: C20H13F6N3O2S1
inchikey: WTERNLDOAPYGJD-UHFFFAOYSA-N
norman_susdat_id: NS00009190
pubchem_cid: 11454275
smiles: CC(COc1cc(ccc1C(F)(F)F)C#N)(NC(=O)c1ccc(SC(F)(F)F)cc1)C#N
inchi:
InChI=1S/C20H13F6N3O2S/c1-18(10-28,11-31-16-8-12(9-27)2-7-15(16)19(21,22)23)29-17(30)13-3-5-14(6-4-13)32-20(24,25)26/h2-8H,11H2,1H3,(H,29,30)


name: Galeterone
cas: 851983-85-2
formula: C26H32N2O
inchikey: PAFKTGFSEFKSQG-PAASFTFBSA-N
norman_susdat_id: NS00070343
pubchem_cid: 11188409
smiles: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1cnc2ccccc21
inchi:
InChI=1S/C26H32N2O/c1-25-13-11-18(29)15-17(25)7-8-19-20-9-10-24(26(20,2)14-12-21(19)25)28-16-27-22-5-3-4-6-23(22)28/h3-7,10,16,18-21,29H,8-9,11-15H2,1-2H3/t18-,19-,20-,21-,25-,26-/m0/s1


name: Sulfazamet
cas: 852-19-7
chemspiderid: 12761
dtxsid: DTXSID30234391
formula: C16H16N4O2S1
inchikey: MTERSQYMYBGZTP-UHFFFAOYSA-N
norman_susdat_id: NS00009771
pubchem_cid: 13326
smiles: Cc1cc(NS(=O)(=O)c2ccc(N)cc2)n(n1)-c1ccccc1
inchi:
InChI=1S/C16H16N4O2S/c1-12-11-16(20(18-12)14-5-3-2-4-6-14)19-23(21,22)15-9-7-13(17)8-10-15/h2-11,19H,17H2,1H3


name: Phenol, 2,2'-thiobis[4-chloro-6-nitro-
cas: 852-20-0
chemspiderid: 63252
dtxsid: DTXSID2073934
formula: C12H6Cl2N2O6S1
inchikey: ZAOJWJAARUYTMA-UHFFFAOYSA-N
norman_susdat_id: NS00038854
pubchem_cid: 70063
smiles: Oc1c(cc(Cl)cc1Sc1c(O)c(cc(Cl)c1)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C12H6Cl2N2O6S/c13-5-1-7(15(19)20)11(17)9(3-5)23-10-4-6(14)2-8(12(10)18)16(21)22/h1-4,17-18H


name: Guaiapate
cas: 852-42-6
chebiid: CHEBI:135375
chemspiderid: 63255
dtxsid: DTXSID10234394
formula: C18H29N1O4
inchikey: PPVFOZYARYOARE-UHFFFAOYSA-N
norman_susdat_id: NS00038872
pubchem_cid: 70066
smiles: COc1c(OCCOCCOCCN2CCCCC2)cccc1
inchi:
InChI=1S/C18H29NO4/c1-20-17-7-3-4-8-18(17)23-16-15-22-14-13-21-12-11-19-9-5-2-6-10-19/h3-4,7-8H,2,5-6,9-16H2,1H3


name: 3-methoxy-17-methylmorphinan-4,6-diol
cas: 85201-34-9
dtxsid: DTXSID701005672
formula: C18H25NO3
inchikey: SADZCZSUWMSOCW-HWSKEQOTSA-N
norman_susdat_id: NS00063810
pubchem_cid: 57354534
smiles: OC=1C(OC)=CC=C2C1C34CCN(C)C(C2)C4CCC(O)C3
inchi:
InChI=1/C18H25NO3/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18/h3,6,12-14,20-21H,4-5,7-10H2,1-2H3


name: Bis(7,8-didehydro-4,5a-epoxy-3,6a-dimethoxy-17-methylmorphinan) sulphate
cas: 85201-36-1
formula: C19H23NO3.1/2H2O4S
inchikey: HUBMFPRGEPHKND-BIXMDUQZSA-N
norman_susdat_id: NS00092292
inchi:
InChI=1/2C19H23NO3.H2O4S/c2*1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20;1-5(2,3)4/h2*4-7,12-13,15,18H,8-10H2,1-3H3;(H2,1,2,3,4)

smiles:
CO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45.CO[C@H]6C=C[C@H]7[C@H]8Cc9ccc(OC)c%10O[C@@H]6[C@]7(CCN8C)c9%10.OS(=O)(=O)O


cas: 85201-92-9
dtxsid: DTXSID30234396
formula: C17H23NO5
inchikey: XGEBASGHXOJNSC-DFQHDRSWSA-N
norman_susdat_id: NS00063491
pubchem_cid: 44150612
smiles: O=C(OCC=1C=CC=CC1)N2CC(OC(C)(C)C)CC2C(=O)O.N(C1CCCCC1)C2CCCCC2
name:
1-benzyl hydrogen (2S-trans)-4-(tert-butoxy)-pyrrolidine-1,2-dicarboxylate, compound with dicyclohexylamine (1:1)

inchi:
InChI=1/C17H23NO5.C12H23N/c1-17(2,3)23-13-9-14(15(19)20)18(10-13)16(21)22-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20);11-13H,1-10H2


name: Sodium 2-[4-hydroxy-3-[[2-hydroxy-3-[(phenylamino)carbonyl]-1-naphthyl]azo]benzoyl]benzoate
cas: 85204-11-1
formula: C31H21N3O6
inchikey: FRHKKNJAEQOFMS-UHFFFAOYSA-M
norman_susdat_id: NS00066376
pubchem_cid: NA
smiles: [Na+].O=C([O-])C=1C=CC=CC1C(=O)C2=CC=C(O)C(N=NC3=C(O)C(=CC=4C=CC=CC43)C(=O)NC=5C=CC=CC5)=C2
inchi:
InChI=1/C31H21N3O6.Na/c35-26-15-14-19(28(36)22-12-6-7-13-23(22)31(39)40)17-25(26)33-34-27-21-11-5-4-8-18(21)16-24(29(27)37)30(38)32-20-9-2-1-3-10-20;/h1-17,35,37H,(H,32,38)(H,39,40);/q;+1/p-1


name: N-[3-[(ethylphenylamino)sulphonyl]-4-methylphenyl]acetamide
cas: 85204-12-2
dtxsid: DTXSID801005675
formula: C17H20N2O3S
inchikey: GICLFFSOFUPDAL-UHFFFAOYSA-N
norman_susdat_id: NS00065174
pubchem_cid: 21149638
smiles: O=C(NC1=CC=C(C(=C1)S(=O)(=O)N(C=2C=CC=CC2)CC)C)C
inchi:
InChI=1/C17H20N2O3S/c1-4-19(16-8-6-5-7-9-16)23(21,22)17-12-15(18-14(3)20)11-10-13(17)2/h5-12H,4H2,1-3H3,(H,18,20)


name: 4-amino-3-[(4-aminophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonic acid
cas: 85204-15-5
formula: C16H14N4O7S2
inchikey: BSFBAYPKFNQEEM-UHFFFAOYSA-N
norman_susdat_id: NS00065179
pubchem_cid: 3020530
smiles: O=S(=O)(O)C=1C=C(O)C=2C(C1)=CC(=C(N=NC3=CC=C(N)C=C3)C2N)S(=O)(=O)O
inchi:
InChI=1/C16H14N4O7S2/c17-9-1-3-10(4-2-9)19-20-16-13(29(25,26)27)6-8-5-11(28(22,23)24)7-12(21)14(8)15(16)18/h1-7,21H,17-18H2,(H,22,23,24)(H,25,26,27)


name: 2,4-Bis(1,1-dimethylpropyl)benzenebutylamine
cas: 85204-25-7
chemspiderid: 34996835
dtxsid: DTXSID80234402
formula: C20H35N1
inchikey: LWEXYTVNVZEEEJ-UHFFFAOYSA-N
norman_susdat_id: NS00038846
pubchem_cid: 44145896
smiles: CCC(C)(C)c1cc(c(CCCCN)cc1)C(C)(C)CC
inchi:
InChI=1S/C20H35N/c1-7-19(3,4)17-13-12-16(11-9-10-14-21)18(15-17)20(5,6)8-2/h12-13,15H,7-11,14,21H2,1-6H3


name: 3-Phenylpropyl cyclohexanepropionate
cas: 85204-27-9
chemspiderid: 85643
dtxsid: DTXSID00234404
formula: C18H26O2
inchikey: VECOJECXTIMSPX-UHFFFAOYSA-N
norman_susdat_id: NS00038848
pubchem_cid: 94919
smiles: O=C(CCC1CCCCC1)OCCCc1ccccc1
inchi:
InChI=1S/C18H26O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1,3-4,8-9,17H,2,5-7,10-15H2


name: Sodium 3-amino-4-(methyloctadecylamino)benzenesulphonate
cas: 85204-32-6
dtxsid: DTXSID40234408
formula: C25H46N2O3S
inchikey: HVGTUZKFPRMYSV-UHFFFAOYSA-M
norman_susdat_id: NS00065209
pubchem_cid: 21149640
smiles: [Na+].O=S(=O)([O-])C1=CC=C(C(N)=C1)N(C)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C25H46N2O3S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(2)25-20-19-23(22-24(25)26)31(28,29)30;/h19-20,22H,3-18,21,26H2,1-2H3,(H,28,29,30);/q;+1/p-1


name: Sodium 3-amino-4-(octadecylamino)benzenesulphonate
cas: 85204-33-7
dtxsid: DTXSID00234409
formula: C24H44N2O3S
inchikey: LHNZJXSWAPFBDZ-UHFFFAOYSA-M
norman_susdat_id: NS00066389
pubchem_cid: 3020543
smiles: [Na+].O=S(=O)([O-])C1=CC=C(NCCCCCCCCCCCCCCCCCC)C(N)=C1
inchi:
InChI=1/C24H44N2O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-24-19-18-22(21-23(24)25)30(27,28)29;/h18-19,21,26H,2-17,20,25H2,1H3,(H,27,28,29);/q;+1/p-1


name: 2-[2-cyclopentyl-4-(1,1-dimethylethyl)phenoxy]propionic acid
cas: 85204-34-8
dtxsid: DTXSID901005678
formula: C18H26O3
inchikey: IIBQTSAECXHWKN-UHFFFAOYSA-N
norman_susdat_id: NS00065655
pubchem_cid: 3020544
smiles: O=C(O)C(OC1=CC=C(C=C1C2CCCC2)C(C)(C)C)C
inchi:
InChI=1/C18H26O3/c1-12(17(19)20)21-16-10-9-14(18(2,3)4)11-15(16)13-7-5-6-8-13/h9-13H,5-8H2,1-4H3,(H,19,20)


cas: 85204-35-9
chemspiderid: 2287404
dtxsid: DTXSID10234410
formula: C30H38Cl4N4O2
inchikey: CPQPQSFYKIXLBL-UHFFFAOYSA-N
norman_susdat_id: NS00038852
pubchem_cid: 3020545
smiles: CCCCCCCCCCCCCCC(=O)Nc1cc(NC2=NN(C(=O)C2)c2c(Cl)cc(Cl)cc2Cl)c(Cl)cc1
name:
N-(4-Chloro-3-((4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)phenyl)pentadecanamide

inchi:
InChI=1S/C30H38Cl4N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-28(39)35-22-15-16-23(32)26(19-22)36-27-20-29(40)38(37-27)30-24(33)17-21(31)18-25(30)34/h15-19H,2-14,20H2,1H3,(H,35,39)(H,36,37)


name: Potassium sodium 2,2'-methylenebis[3,4,6-trichlorophenolate]
cas: 85204-37-1
formula: C13H6Cl6O2.K.Na
inchikey: XVLKPLNXFKHPPI-UHFFFAOYSA-L
norman_susdat_id: NS00092825
smiles: [Na+].[K+].[O-]c1c(Cl)cc(Cl)c(Cl)c1Cc2c([O-])c(Cl)cc(Cl)c2Cl
inchi:
InChI=1/C13H6Cl6O2.K.Na/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21;;/h2-3,20-21H,1H2;;/q;2*+1/p-2


name: Potassium hydrogen 2,2'-methylenebis[3,4,6-trichlorophenolate]
cas: 85204-38-2
formula: C13H6Cl6O2.K
inchikey: XGVOFOZRVSYENO-UHFFFAOYSA-L
norman_susdat_id: NS00092826
smiles: [K+].[O-]c1c(Cl)cc(Cl)c(Cl)c1Cc2c([O-])c(Cl)cc(Cl)c2Cl
inchi:
InChI=1/C13H6Cl6O2.K/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21;/h2-3,20-21H,1H2;/q;+1/p-2


cas: 85204-51-9
formula: C36H36N12O8S2.xNa
inchikey: HIMNALZNLAOESZ-YHPRVSEPSA-L
norman_susdat_id: NS00092537
name:
Sodium 4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C36H36N12O8S2.2Na/c49-19-17-37-31-43-33(39-25-7-3-1-4-8-25)47-35(45-31)41-27-15-13-23(29(21-27)57(51,52)53)11-12-24-14-16-28(22-30(24)58(54,55)56)42-36-46-32(38-18-20-50)44-34(48-36)40-26-9-5-2-6-10-26;;/h1-16,21-22,49-50H,17-20H2,(H,51,52,53)(H,54,55,56)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;/q;2*+1/p-2

smiles:
[Na+].[Na+].OCCNc1nc(Nc2ccccc2)nc(Nc3ccc(\C=C\c4ccc(Nc5nc(NCCO)nc(Nc6ccccc6)n5)cc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])n1


cas: 85204-53-1
dtxsid: DTXSID601005679
formula: C21H18N6O2
inchikey: XJJFTRCTXKMBBY-UHFFFAOYSA-N
norman_susdat_id: NS00065656
pubchem_cid: NA
smiles: O=C1OC=2C=C(C=CC2C=C1[NH+]3N=CN(C)C3)N4N=C(C=5C=CC=CC5)C(=N4)C.O=S(=O)([O-])OC
name:
Methyl 4-methyl-1-[7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-2-oxo-2H-1-benzopyran-3-yl]-1H-1,2,4-triazolium sulphate

inchi:
InChI=1/C21H18N6O2.CH4O4S/c1-14-20(15-6-4-3-5-7-15)24-27(23-14)17-9-8-16-10-18(21(28)29-19(16)11-17)26-13-25(2)12-22-26;1-5-6(2,3)4/h3-12H,13H2,1-2H3;1H3,(H,2,3,4)


name: 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate
cas: 85204-55-3
formula: C22H26ClN2.CH3O4S
inchikey: BRCNZYZVEHXRLP-UHFFFAOYSA-M
norman_susdat_id: NS00093210
smiles: COS(=O)(=O)[O-].CN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1
inchi:
InChI=1/C22H26ClN2.CH4O4S/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;1-5-6(2,3)4/h5-14H,15-16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 85204-56-4
formula: C23H25N2.CH3O4S
inchikey: ZLKIQCASXPNHIC-UHFFFAOYSA-M
norman_susdat_id: NS00092545
smiles: COS(=O)(=O)[O-].CN(C)c1ccc(cc1)c2ccccc2C=C3C=CC(=[N+](C)C)C=C3
name:
Dimethyl[4-[[4-(dimethylamino)phenyl]benzylidene]-2,5-cyclohexadien-1-ylidene]ammonium methyl sulphate

inchi:
InChI=1/C23H25N2.CH4O4S/c1-24(2)21-13-9-18(10-14-21)17-20-7-5-6-8-23(20)19-11-15-22(16-12-19)25(3)4;1-5-6(2,3)4/h5-17H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 85209-91-2
chemspiderid: 152134
dtxsid: DTXSID2072914
formula: C29H43O4P1
inchikey: ZHROMWXOTYBIMF-UHFFFAOYSA-M
norman_susdat_id: NS00020034
pubchem_cid: 23674278
smiles: [Na+].CC(C)(C)c1cc(c2OP(=O)([O-])Oc3c(cc(cc3Cc2c1)C(C)(C)C)C(C)(C)C)C(C)(C)C
name:
12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-hydroxy-, 6-oxide, sodium salt

inchi:
InChI=1S/C29H43O4P/c1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9/h14-17H,13H2,1-12H3,(H,30,31)


cas: 85209-93-4
dtxsid: DTXSID1074886
formula: C29H42LiO4P
inchikey: UADIOTAIECKQLQ-UHFFFAOYSA-M
norman_susdat_id: NS00112935
smiles: [Li+].CC(C)(C)C1=CC(=C2OP([O-])(=O)OC3=C(CC2=C1)C=C(C=C3C(C)(C)C)C(C)(C)C)C(C)(C)C
name:
12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-hydroxy-, 6-oxide, lithium salt (1:1)

inchi:
InChI=1S/C29H43O4P.Li/c1-26(2,3)20-14-18-13-19-15-21(27(4,5)6)17-23(29(10,11)12)25(19)33-34(30,31)32-24(18)22(16-20)28(7,8)9;/h14-17H,13H2,1-12H3,(H,30,31);/q;+1/p-1


cas: 85213-60-1
formula: C18H16Cl2N8O9S2
inchikey: MDKOFBSUTXSGLO-UHFFFAOYSA-N
norman_susdat_id: NS00092538
smiles: 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:
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-disulphonic acid

inchi:
InChI=1/C18H16Cl2N8O9S2/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)


cas: 85214-48-8
norman_susdat_id: NS00113630
name:
Hexanedioic acid, polymer with 1,2-ethanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and 2,2-oxybis[ethanol]


name: (4S)-2-(4-bromophenyl)-4-isopropyl-3-pentanoyl-1,3-oxazolidin-5-one
cas: 852212-81-8
chemspiderid: 27470966
formula: C17H22Br1N1O3
inchikey: WOAMFBOLOWOMMK-VYRBHSGPSA-N
norman_susdat_id: NS00001396
pubchem_cid: NA
smiles: CCCCC(=O)N1C(OC(=O)[C@@H]1C(C)C)c1ccc(Br)cc1
inchi:
InChI=1S/C17H22BrNO3/c1-4-5-6-14(20)19-15(11(2)3)17(21)22-16(19)12-7-9-13(18)10-8-12/h7-11,15-16H,4-6H2,1-3H3/t15-,16?/m0/s1


name: 4-chloro-2-(trifluoromethyl)benzenediazonium naphthalene-1,5-disulphonate (1:1)
cas: 85222-98-6
formula: C10H7O6S2.C7H3ClF3N2
inchikey: DSBYCJMITTWHTD-UHFFFAOYSA-L
norman_susdat_id: NS00092827
smiles: [O-]S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)[O-].FC(F)(F)c3cc(Cl)ccc3[N+]#N
inchi:
InChI=1/C10H8O6S2.C7H3ClF3N2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;8-4-1-2-6(13-12)5(3-4)7(9,10)11/h1-6H,(H,11,12,13)(H,14,15,16);1-3H/q;+1/p-2


name: 2-chloro-5-(trifluoromethyl)benzenediazonium naphthalene-1,5-disulphonate (1:1)
cas: 85222-99-7
formula: C10H7O6S2.C7H3ClF3N2
inchikey: QGGFUCKTGADFDV-UHFFFAOYSA-L
norman_susdat_id: NS00093212
smiles: [O-]S(=O)(=O)c1cccc2c(cccc12)S(=O)(=O)[O-].FC(F)(F)c3ccc(Cl)c(c3)[N+]#N
inchi:
InChI=1/C10H8O6S2.C7H3ClF3N2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;8-5-2-1-4(7(9,10)11)3-6(5)13-12/h1-6H,(H,11,12,13)(H,14,15,16);1-3H/q;+1/p-2


name: p-nitrobenzenediazonium p-chlorobenzenesulphonate
cas: 85223-00-3
formula: C6H4ClO3S.C6H4N3O2
inchikey: WRJAJKKDHKWWLD-UHFFFAOYSA-M
norman_susdat_id: NS00092828
smiles: [O-][N+](=O)c1ccc(cc1)[N+]#N.[O-]S(=O)(=O)c2ccc(Cl)cc2
inchi:
InChI=1/C6H5ClO3S.C6H4N3O2/c7-5-1-3-6(4-2-5)11(8,9)10;7-8-5-1-3-6(4-2-5)9(10)11/h1-4H,(H,8,9,10);1-4H/q;+1/p-1


name: 5-chloro-2-(4-chlorophenoxy)benzenediazonium oxalate
cas: 85223-01-4
formula: C12H7Cl2N2O.C2HO4
inchikey: TURZCABAJXINMG-UHFFFAOYSA-L
norman_susdat_id: NS00092546
smiles: [O-]C(=O)C(=O)[O-].Clc1ccc(Oc2ccc(Cl)cc2[N+]#N)cc1.Clc3ccc(Oc4ccc(Cl)cc4[N+]#N)cc3
inchi:
InChI=1/2C12H7Cl2N2O.C2H2O4/c2*13-8-1-4-10(5-2-8)17-12-6-3-9(14)7-11(12)16-15;3-1(4)2(5)6/h2*1-7H;(H,3,4)(H,5,6)/q2*+1;/p-2


name: 5-chloro-2-methylbenzenediazonium naphthalene-1,5-disulphonate (1:1)
cas: 85223-02-5
formula: C10H7O6S2.C7H6ClN2
inchikey: SGEIBXBCRKDSPV-UHFFFAOYSA-L
norman_susdat_id: NS00092539
smiles: Cc1ccc(Cl)cc1[N+]#N.[O-]S(=O)(=O)c2cccc3c(cccc23)S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O6S2.C7H6ClN2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;1-5-2-3-6(8)4-7(5)10-9/h1-6H,(H,11,12,13)(H,14,15,16);2-4H,1H3/q;+1/p-2


name: 4-methyl-2-nitrobenzenediazonium naphthalene-1,5-disulphonate (1:1)
cas: 85223-03-6
formula: C10H7O6S2.C7H6N3O2
inchikey: BQRDIOOMNHUVIM-UHFFFAOYSA-L
norman_susdat_id: NS00092547
smiles: Cc1ccc([N+]#N)c(c1)[N+](=O)[O-].[O-]S(=O)(=O)c2cccc3c(cccc23)S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O6S2.C7H6N3O2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;1-5-2-3-6(9-8)7(4-5)10(11)12/h1-6H,(H,11,12,13)(H,14,15,16);2-4H,1H3/q;+1/p-2


name: N-[4-[[2-hydroxy-4-(2-oxo-1-pyrrolidinyl)phenyl]azo]phenyl]acetamide
cas: 85223-04-7
formula: C18H18N4O3
inchikey: NAMNMCZAYCXRSK-UHFFFAOYSA-N
norman_susdat_id: NS00065203
pubchem_cid: 3020552
smiles: O=C(NC1=CC=C(N=NC2=CC=C(C=C2O)N3C(=O)CCC3)C=C1)C
inchi:
InChI=1/C18H18N4O3/c1-12(23)19-13-4-6-14(7-5-13)20-21-16-9-8-15(11-17(16)24)22-10-2-3-18(22)25/h4-9,11,24H,2-3,10H2,1H3,(H,19,23)


name: 2-((4-(2,2-Dicyanovinyl)phenyl)(2-phenylethyl)amino)ethyl (3,4-dichlorophenyl)carbamate
cas: 85223-05-8
chemspiderid: 2287409
dtxsid: DTXSID00234429
formula: C27H22Cl2N4O2
inchikey: XKXRMIZXLDXFLQ-UHFFFAOYSA-N
norman_susdat_id: NS00038855
pubchem_cid: 3020553
smiles: Clc1c(Cl)cc(NC(=O)OCCN(CCc2ccccc2)c2ccc(C=C(C#N)C#N)cc2)cc1
inchi:
InChI=1S/C27H22Cl2N4O2/c28-25-11-8-23(17-26(25)29)32-27(34)35-15-14-33(13-12-20-4-2-1-3-5-20)24-9-6-21(7-10-24)16-22(18-30)19-31/h1-11,16-17H,12-15H2,(H,32,34)


name: 3,3'-(1H-isoindole-1,3(2H)-diylidene)bisquinoline-2,4(1H,3H)-dione
cas: 85223-06-9
formula: C26H15N3O4
inchikey: VODSPHWTDRFZSQ-UHFFFAOYSA-N
norman_susdat_id: NS00065210
pubchem_cid: NA
smiles: O=C1NC=2C=CC=CC2C(=O)C1=C3NC(C=4C=CC=CC43)=C5C(=O)NC=6C=CC=CC6C5=O
inchi:
InChI=1/C26H15N3O4/c30-23-15-9-3-5-11-17(15)27-25(32)19(23)21-13-7-1-2-8-14(13)22(29-21)20-24(31)16-10-4-6-12-18(16)28-26(20)33/h1-12,29H,(H,27,32)(H,28,33)


cas: 85223-07-0
formula: C47H28ClN5O8
inchikey: PJACWBCCSMRVGN-UHFFFAOYSA-N
norman_susdat_id: NS00065658
pubchem_cid: 3020554
name:
2-(5-chloro-2-methoxyphenyl)-N-[4-[[[4-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-3-hydroxy-2-naphthyl]carbonyl]amino]phenyl]-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxamide

inchi:
InChI=1/C47H28ClN5O8/c1-61-38-20-14-26(48)23-37(38)53-46(59)32-19-13-25(22-34(32)47(53)60)44(57)49-27-15-17-28(18-16-27)50-45(58)35-21-24-7-2-3-8-29(24)40(43(35)56)52-51-36-12-6-11-33-39(36)42(55)31-10-5-4-9-30(31)41(33)54/h2-23,56H,1H3,(H,49,57)(H,50,58)

smiles:
O=C(NC1=CC=C(C=C1)NC(=O)C2=CC=3C=CC=CC3C(N=NC4=CC=CC=5C(=O)C=6C=CC=CC6C(=O)C45)=C2O)C7=CC=C8C(=O)N(C(=O)C8=C7)C9=CC(Cl)=CC=C9OC


name: 1-[(5,6,7-trichloro-1,9-dihydro-2-methyl-9-oxopyrazolo[5,1-b]quinazolin-3-yl)azo]anthraquinone
cas: 85223-08-1
formula: C25H12Cl3N5O3
inchikey: NCUBZKJWHZKVJX-UHFFFAOYSA-N
norman_susdat_id: NS00066390
pubchem_cid: 136075846
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(N=NC=4C5=NC=6C(Cl)=C(Cl)C(Cl)=CC6C(=O)N5NC4C)=CC=CC13
inchi:
InChI=1/C25H12Cl3N5O3/c1-10-20(24-29-21-14(25(36)33(24)32-10)9-15(26)18(27)19(21)28)31-30-16-8-4-7-13-17(16)23(35)12-6-3-2-5-11(12)22(13)34/h2-9,32H,1H3


name: 1-[(7-chloro-1,9-dihydro-2-methyl-9-oxopyrazolo[5,1-b]quinazolin-3-yl)azo]anthraquinone
cas: 85223-09-2
dtxsid: DTXSID7072915
formula: C25H14ClN5O3
inchikey: QGBYFSCNFMMNGU-UHFFFAOYSA-N
norman_susdat_id: NS00065659
pubchem_cid: 174429
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(N=NC=4C5=NC=6C=CC(Cl)=CC6C(=O)N5NC4C)=CC=CC13
inchi:
InChI=1/C25H14ClN5O3/c1-12-21(24-27-18-10-9-13(26)11-17(18)25(34)31(24)30-12)29-28-19-8-4-7-16-20(19)23(33)15-6-3-2-5-14(15)22(16)32/h2-11,30H,1H3


cas: 85223-12-7
dtxsid: DTXSID601005693
formula: C39H35N3O5S
inchikey: ODFVAHYUYMPHJA-UHFFFAOYSA-N
norman_susdat_id: NS00065229
pubchem_cid: 44150972
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)NC5=CC=C(C=C5)S(=O)(=O)N6CCCC6)N(C7=CC=C(C=C7)C)CC)C=8C=CC=CC18
name:
1-[[4-[[6'-[ethyl(p-tolyl)amino]-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]pyrrolidine

inchi:
InChI=1/C39H35N3O5S/c1-3-42(29-15-10-26(2)11-16-29)30-17-20-34-37(25-30)46-36-21-14-28(24-35(36)39(34)33-9-5-4-8-32(33)38(43)47-39)40-27-12-18-31(19-13-27)48(44,45)41-22-6-7-23-41/h4-5,8-21,24-25,40H,3,6-7,22-23H2,1-2H3


cas: 85223-13-8
dtxsid: DTXSID301005694
formula: C39H43N3O5S
inchikey: DQZZIPZLLBZSNG-UHFFFAOYSA-N
norman_susdat_id: NS00065230
pubchem_cid: 44153364
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)NC5=CC=C(C=C5)S(=O)(=O)N6CCCCC6)N(CCCC)CCCC)C=7C=CC=CC17
name:
1-[[4-[[6'-(dibutylamino)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]piperidine

inchi:
InChI=1/C39H43N3O5S/c1-3-5-22-41(23-6-4-2)30-17-20-34-37(27-30)46-36-21-16-29(26-35(36)39(34)33-13-9-8-12-32(33)38(43)47-39)40-28-14-18-31(19-15-28)48(44,45)42-24-10-7-11-25-42/h8-9,12-21,26-27,40H,3-7,10-11,22-25H2,1-2H3


cas: 85223-14-9
dtxsid: DTXSID001005695
formula: C35H35N3O5S
inchikey: KRWDNSILLUMLQR-UHFFFAOYSA-N
norman_susdat_id: NS00065206
pubchem_cid: 44146192
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)NC5=CC=C(C=C5)S(=O)(=O)N6CCCCC6)N(CC)CC)C=7C=CC=CC17
name:
1-[[4-[[6'-(diethylamino)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]piperidine

inchi:
InChI=1/C35H35N3O5S/c1-3-37(4-2)26-15-18-30-33(23-26)42-32-19-14-25(22-31(32)35(30)29-11-7-6-10-28(29)34(39)43-35)36-24-12-16-27(17-13-24)44(40,41)38-20-8-5-9-21-38/h6-7,10-19,22-23,36H,3-5,8-9,20-21H2,1-2H3


cas: 85223-18-3
dtxsid: DTXSID801005699
formula: C34H33N3O5S
inchikey: GRXCVVJOYQIUTP-UHFFFAOYSA-N
norman_susdat_id: NS00065660
pubchem_cid: 44150530
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)NC5=CC=C(C=C5)S(=O)(=O)N6CCCC6)N(CC)CC)C=7C=CC=CC17
name:
1-[[4-[[6'-(diethylamino)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]pyrrolidine

inchi:
InChI=1/C34H33N3O5S/c1-3-36(4-2)25-14-17-29-32(22-25)41-31-18-13-24(21-30(31)34(29)28-10-6-5-9-27(28)33(38)42-34)35-23-11-15-26(16-12-23)43(39,40)37-19-7-8-20-37/h5-6,9-18,21-22,35H,3-4,7-8,19-20H2,1-2H3


name: 2'-anilino-6'-(dibutylamino)-3'-methoxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 85223-20-7
dtxsid: DTXSID301005701
formula: C35H36N2O4
inchikey: KYEZYEYYNOJEDM-UHFFFAOYSA-N
norman_susdat_id: NS00065681
pubchem_cid: 13643804
smiles: O=C1OC2(C3=CC=C(C=C3OC=4C=C(OC)C(=CC42)NC=5C=CC=CC5)N(CCCC)CCCC)C=6C=CC=CC16
inchi:
InChI=1/C35H36N2O4/c1-4-6-19-37(20-7-5-2)25-17-18-28-31(21-25)40-32-23-33(39-3)30(36-24-13-9-8-10-14-24)22-29(32)35(28)27-16-12-11-15-26(27)34(38)41-35/h8-18,21-23,36H,4-7,19-20H2,1-3H3


name: 2'-anilino-6'-[ethyl(p-tolyl)amino]-3'-methoxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 85223-22-9
dtxsid: DTXSID701005703
formula: C36H30N2O4
inchikey: UFWMJNGNDZLVJI-UHFFFAOYSA-N
norman_susdat_id: NS00066400
pubchem_cid: 13643806
smiles: O=C1OC2(C3=CC=C(C=C3OC=4C=C(OC)C(=CC42)NC=5C=CC=CC5)N(C6=CC=C(C=C6)C)CC)C=7C=CC=CC17
inchi:
InChI=1/C36H30N2O4/c1-4-38(25-16-14-23(2)15-17-25)26-18-19-29-32(20-26)41-33-22-34(40-3)31(37-24-10-6-5-7-11-24)21-30(33)36(29)28-13-9-8-12-27(28)35(39)42-36/h5-22,37H,4H2,1-3H3


cas: 85223-23-0
dtxsid: DTXSID401005704
formula: C38H41N3O5S
inchikey: ODNOWXBNFWKWGC-UHFFFAOYSA-N
norman_susdat_id: NS00065682
pubchem_cid: 44148427
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)NC5=CC=C(C=C5)S(=O)(=O)N6CCCC6)N(CCCC)CCCC)C=7C=CC=CC17
name:
1-[[4-[[6'-(dibutylamino)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-2'-yl]amino]phenyl]sulphonyl]pyrrolidine

inchi:
InChI=1/C38H41N3O5S/c1-3-5-21-40(22-6-4-2)29-16-19-33-36(26-29)45-35-20-15-28(25-34(35)38(33)32-12-8-7-11-31(32)37(42)46-38)39-27-13-17-30(18-14-27)47(43,44)41-23-9-10-24-41/h7-8,11-20,25-26,39H,3-6,9-10,21-24H2,1-2H3


name: Bismuth(3+) (2-methoxyphenoxy)acetate
cas: 85223-27-4
formula: C9H10O4.1/3Bi
inchikey: IFPZIOIXYGCICT-UHFFFAOYSA-K
norman_susdat_id: NS00091702
smiles: [BiH3+3].COc1ccccc1OCC(=O)[O-].COc2ccccc2OCC(=O)[O-].COc3ccccc3OCC(=O)[O-]
inchi:
InChI=1/3C9H10O4.Bi.3H/c3*1-12-7-4-2-3-5-8(7)13-6-9(10)11;;;;/h3*2-5H,6H2,1H3,(H,10,11);;;;/q;;;+3;;;/p-3/r3C9H10O4.BiH3/c3*1-12-7-4-2-3-5-8(7)13-6-9(10)11;/h3*2-5H,6H2,1H3,(H,10,11);1H3/q;;;+3/p-3


cas: 85223-30-9
dtxsid: DTXSID901013128
formula: C46H33N7O16S4
inchikey: CUYKESUOUNQMLO-UHFFFAOYSA-J
norman_susdat_id: NS00063493
pubchem_cid: NA
name:
Disodium 3,3'-[iminobis(4,1-phenyleneazo)]bis[5-(benzoylamino)-4-hydroxynaphthalene-2,7-disulphonate]

inchi:
InChI=1/C46H33N7O16S4.2Na/c54-43-39-27(19-33(70(58,59)60)23-35(39)48-45(56)25-7-3-1-4-8-25)21-37(72(64,65)66)41(43)52-50-31-15-11-29(12-16-31)47-30-13-17-32(18-14-30)51-53-42-38(73(67,68)69)22-28-20-34(71(61,62)63)24-36(40(28)44(42)55)49-46(57)26-9-5-2-6-10-26;;/h1-24,47,54-55H,(H,48,56)(H,49,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;/q;2*+1/p-4

smiles:
[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC=C(C=C3)NC4=CC=C(N=NC=5C(O)=C6C(C=C(C=C6NC(=O)C=7C=CC=CC7)S(=O)(=O)[O-])=CC5S(=O)(=O)[O-])C=C4)C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C=8C=CC=CC8


name: Sodium 1-amino-4-[(2-ethylhexyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
cas: 85223-32-1
dtxsid: DTXSID801005706
formula: C22H26N2O5S
inchikey: IMVBAZWVBCICIB-UHFFFAOYSA-M
norman_susdat_id: NS00064704
pubchem_cid: 3020556
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NCC(CC)CCCC
inchi:
InChI=1/C22H26N2O5S.Na/c1-3-5-8-13(4-2)12-24-16-11-17(30(27,28)29)20(23)19-18(16)21(25)14-9-6-7-10-15(14)22(19)26;/h6-7,9-11,13,24H,3-5,8,12,23H2,1-2H3,(H,27,28,29);/q;+1/p-1


name: Sodium 3-[[4-[(o-tolyl)amino]-5-sulpho-1-naphthyl]azo]-2,1-benzisothiazole-5-sulphonate
cas: 85223-33-2
formula: C24H18N4O6S3
inchikey: BZHRKWHVBZJEJG-UHFFFAOYSA-M
norman_susdat_id: NS00063811
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C=1C=CC2=NSC(N=NC=3C=CC(NC=4C=CC=CC4C)=C5C3C=CC=C5S(=O)(=O)O)=C2C1
inchi:
InChI=1/C24H18N4O6S3.Na/c1-14-5-2-3-7-18(14)25-21-12-11-19(16-6-4-8-22(23(16)21)37(32,33)34)26-27-24-17-13-15(36(29,30)31)9-10-20(17)28-35-24;/h2-13,25H,1H3,(H,29,30,31)(H,32,33,34);/q;+1/p-1


name: (3-chloropropyl)(3,4-dimethoxyphenethyl)methylammonium hydrogen oxalate
cas: 85226-25-1
formula: C14H22ClNO2.C2H2O4
inchikey: RHWJLYYZGLGWDX-UHFFFAOYSA-M
norman_susdat_id: NS00091715
smiles: COc1ccc(CC[NH+](C)CCCCl)cc1OC.[O-]C(=O)C(=O)[O-]
inchi:
InChI=1/C14H22ClNO2.C2H2O4/c1-16(9-4-8-15)10-7-12-5-6-13(17-2)14(11-12)18-3;3-1(4)2(5)6/h5-6,11H,4,7-10H2,1-3H3;(H,3,4)(H,5,6)/p-1


name: N-[[4-[(Heptadecafluorononenyl)oxy]phenyl]sulfonyl]-N-methylglycine sodium salt
cas: 85228-95-1
dtxsid: DTXSID00893297
formula: C18H9F17NNaO5S
inchikey: BEYPTICLYWNJEV-UHFFFAOYSA-M
norman_susdat_id: NS00108935
inchi:
InChI=1S/C18H10F17NO5S.Na/c1-36(6-9(37)38)42(39,40)8-4-2-7(3-5-8)41-11(20)10(19)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35;/h2-5H,6H2,1H3,(H,37,38);/q;+1/p-1

smiles:
[Na+].CN(CC([O-])=O)S(=O)(=O)C1=CC=C(OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1


cas: 852282-89-4
dtxsid: DTXSID70234431
formula: C38H43NO3
inchikey: HLYXVMWDKPFROM-UHFFFAOYSA-N
norman_susdat_id: NS00112936
smiles: CC(C)C1=CC=CC(C(C)C)=C1N1C(=O)C2=CC=CC3=C(OC4=CC=C(C=C4)C(C)(C)CC(C)(C)C)C=CC(C1=O)=C23
name:
1H-BENZ[DE]ISOQUINOLINE-1,3(2H)-DIONE, 2-[2,6-BIS(1-METHYLETHYL)PHENYL]-6-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]

inchi:
InChI=1S/C38H43NO3/c1-23(2)27-12-10-13-28(24(3)4)34(27)39-35(40)30-15-11-14-29-32(21-20-31(33(29)30)36(39)41)42-26-18-16-25(17-19-26)38(8,9)22-37(5,6)7/h10-21,23-24H,22H2,1-9H3


name: {1-[N-(Pyrrolidin-3-yl)glycyl]pyrrolidin-2-yl}boronic acid
cas: 852329-66-9
dtxsid: DTXSID301005713
formula: C10H20BN3O3
inchikey: DVJAMEIQRSHVKC-BDAKNGLRSA-N
norman_susdat_id: NS00073516
pubchem_cid: 11253490
smiles: O=C(CN[C@@H]1CCNC1)N1CCC[C@H]1B(O)O
inchi:
InChI=1S/C10H20BN3O3/c15-10(7-13-8-3-4-12-6-8)14-5-1-2-9(14)11(16)17/h8-9,12-13,16-17H,1-7H2/t8-,9+/m1/s1


cas: 85237-39-4
formula: C43H35Cl5N8O6
inchikey: USINIJQOGQKBGB-UHFFFAOYSA-N
norman_susdat_id: NS00063272
pubchem_cid: NA
name:
3,3'-[(2-chloro-5-methyl-p-phenylene)bis[imino(1-acetyl-2-oxoethylene)azo]]bis[4-chloro-N-(5-chloro-o-tolyl)benzamide]

inchi:
InChI=1/C43H35Cl5N8O6/c1-20-6-10-27(44)17-32(20)51-40(59)25-8-12-29(46)36(15-25)53-55-42(61)38(23(4)57)49-34-19-31(48)35(14-22(34)3)50-39(24(5)58)43(62)56-54-37-16-26(9-13-30(37)47)41(60)52-33-18-28(45)11-7-21(33)2/h6-19,38-39,49-50H,1-5H3,(H,51,59)(H,52,60)

smiles:
O=C(N=NC1=CC(=CC=C1Cl)C(=O)NC2=CC(Cl)=CC=C2C)C(NC=3C=C(C(=CC3Cl)NC(C(=O)N=NC4=CC(=CC=C4Cl)C(=O)NC5=CC(Cl)=CC=C5C)C(=O)C)C)C(=O)C


name: (1S)-1-[[[(dihydroxybismuthino)oxy]sulphonyl]methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
cas: 85237-40-7
formula: C10H17BiO6S
inchikey: UBFDDVSGJBGWNR-XWKBRMAXSA-K
norman_susdat_id: NS00091858
smiles: CC1(C)C2CC[C@@]1(CS(=O)(=O)O[Bi](O)O)C(=O)C2
inchi:
InChI=1/C10H16O4S.Bi.2H2O/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;;;/h7H,3-6H2,1-2H3,(H,12,13,14);;2*1H2/q;+3;;/p-3/rC10H17BiO6S/c1-9(2)7-3-4-10(9,8(12)5-7)6-18(15,16)17-11(13)14/h7,13-14H,3-6H2,1-2H3


name: Dibismuth tris(methylarsonate)
cas: 85237-42-9
formula: CH5AsO3.2/3Bi
inchikey: PUMTXRMVYHEZHA-UHFFFAOYSA-H
norman_susdat_id: NS00091859
smiles: [BiH3+3].[BiH3+3].C[As](=O)([O-])[O-].C[As](=O)([O-])[O-].C[As](=O)([O-])[O-]
inchi:
InChI=1/3CH5AsO3.2Bi.6H/c3*1-2(3,4)5;;;;;;;;/h3*1H3,(H2,3,4,5);;;;;;;;/q;;;2*+3;;;;;;/p-6/r3CH5AsO3.2BiH3/c3*1-2(3,4)5;;/h3*1H3,(H2,3,4,5);2*1H3/q;;;2*+3/p-6


name: 2-chloro-5-(trifluoromethyl)benzenediazonium tetrachlorozincate (2:1)
cas: 85237-43-0
formula: C7H3ClF3N2.1/2Cl4Zn
inchikey: KFEAKZIUKCTJRI-UHFFFAOYSA-J
norman_susdat_id: NS00092318
smiles: FC(F)(F)c1ccc(Cl)c(c1)[N+]#N.FC(F)(F)c2ccc(Cl)c(c2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C7H3ClF3N2.4ClH.Zn/c2*8-5-2-1-4(7(9,10)11)3-6(5)13-12;;;;;/h2*1-3H;4*1H;/q2*+1;;;;;+2/p-4/r2C7H3ClF3N2.Cl4Zn/c2*8-5-2-1-4(7(9,10)11)3-6(5)13-12;1-5(2,3)4/h2*1-3H;/q2*+1;-2


name: 2-(ethylsulphonyl)-5-(trifluoromethyl)benzenediazonium tetrachlorozincate (2:1)
cas: 85237-44-1
dtxsid: DTXSID30234437
formula: C9H8F3N2O2S
inchikey: PIAFKPKHGFMGRX-UHFFFAOYSA-J
norman_susdat_id: NS00063273
pubchem_cid: 44153430
smiles: N#[N+]C1=CC(=CC=C1S(=O)(=O)CC)C(F)(F)F.N#[N+]C1=CC(=CC=C1S(=O)(=O)CC)C(F)(F)F.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C9H8F3N2O2S.4ClH.Zn/c2*1-2-17(15,16)8-4-3-6(9(10,11)12)5-7(8)14-13;;;;;/h2*3-5H,2H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C9H8F3N2O2S.Cl4Zn/c2*1-2-17(15,16)8-4-3-6(9(10,11)12)5-7(8)14-13;1-5(2,3)4/h2*3-5H,2H2,1H3;/q2*+1;-2


name: 5-benzylsulphonyl-2-methoxybenzenediazonium tetrachlorozincate (2:1)
cas: 85237-45-2
dtxsid: DTXSID90234438
formula: C14H13N2O3S
inchikey: GSCLOVZYWKSTIC-UHFFFAOYSA-J
norman_susdat_id: NS00063293
pubchem_cid: 44152146
inchi:
InChI=1/2C14H13N2O3S.4ClH.Zn/c2*1-19-14-8-7-12(9-13(14)16-15)20(17,18)10-11-5-3-2-4-6-11;;;;;/h2*2-9H,10H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H13N2O3S.Cl4Zn/c2*1-19-14-8-7-12(9-13(14)16-15)20(17,18)10-11-5-3-2-4-6-11;1-5(2,3)4/h2*2-9H,10H2,1H3;/q2*+1;-2

smiles:
N#[N+]C1=CC(=CC=C1OC)S(=O)(=O)CC=2C=CC=CC2.N#[N+]C1=CC(=CC=C1OC)S(=O)(=O)CC=2C=CC=CC2.Cl[Zn-2](Cl)(Cl)Cl


name: 4-(benzoylamino)-2-chloro-5-methoxybenzenediazonium tetrachlorozincate (2:1)
cas: 85237-46-3
dtxsid: DTXSID50234439
formula: C14H11ClN3O2
inchikey: ALAZGXLHSJZHIV-UHFFFAOYSA-L
norman_susdat_id: NS00064750
pubchem_cid: 44153568
inchi:
InChI=1/2C14H10ClN3O2.4ClH.Zn/c2*1-20-13-8-11(18-16)10(15)7-12(13)17-14(19)9-5-3-2-4-6-9;;;;;/h2*2-8H,1H3;4*1H;/q;;;;;;+2/p-2/r2C14H10ClN3O2.Cl4Zn/c2*1-20-13-8-11(18-16)10(15)7-12(13)17-14(19)9-5-3-2-4-6-9;1-5(2,3)4/h2*2-8H,1H3;/q;;-2/p+2

smiles:
N#[N+]C=1C=C(OC)C(=CC1Cl)NC(=O)C=2C=CC=CC2.N#[N+]C=1C=C(OC)C(=CC1Cl)NC(=O)C=2C=CC=CC2.Cl[Zn-2](Cl)(Cl)Cl


name: 5-(ethylsulphonyl)-2-methoxybenzenediazonium tetrachlorozincate (2:1)
cas: 85237-48-5
dtxsid: DTXSID60234440
formula: C9H11N2O3S
inchikey: UORUCBVXNYJNBP-UHFFFAOYSA-J
norman_susdat_id: NS00063864
pubchem_cid: 44145863
smiles: N#[N+]C1=CC(=CC=C1OC)S(=O)(=O)CC.N#[N+]C1=CC(=CC=C1OC)S(=O)(=O)CC.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C9H11N2O3S.4ClH.Zn/c2*1-3-15(12,13)7-4-5-9(14-2)8(6-7)11-10;;;;;/h2*4-6H,3H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C9H11N2O3S.Cl4Zn/c2*1-3-15(12,13)7-4-5-9(14-2)8(6-7)11-10;1-5(2,3)4/h2*4-6H,3H2,1-2H3;/q2*+1;-2


name: Sodium 2-(acetylamino)-5-aminobenzoate
cas: 85237-54-3
formula: C9H10N2O3.Na
inchikey: SBLCFKDQDWZAJH-UHFFFAOYSA-M
norman_susdat_id: NS00091860
smiles: [Na+].CC(=O)Nc1ccc(N)cc1C(=O)[O-]
inchi:
InChI=1/C9H10N2O3.Na/c1-5(12)11-8-3-2-6(10)4-7(8)9(13)14;/h2-4H,10H2,1H3,(H,11,12)(H,13,14);/q;+1/p-1


name: 2-Amino-5-((3-amino-4-hydroxybenzoyl)amino)benzoic acid
cas: 85237-57-6
chemspiderid: 2287415
dtxsid: DTXSID40234443
formula: C14H13N3O4
inchikey: RGWHLIHIFDDLTL-UHFFFAOYSA-N
norman_susdat_id: NS00038858
pubchem_cid: 3020560
smiles: Nc1c(cc(NC(=O)c2cc(N)c(O)cc2)cc1)C(=O)O
inchi:
InChI=1S/C14H13N3O4/c15-10-3-2-8(6-9(10)14(20)21)17-13(19)7-1-4-12(18)11(16)5-7/h1-6,18H,15-16H2,(H,17,19)(H,20,21)


name: N-[4-amino-3-[(p-tolyl)sulphonyl]phenyl]benzamide
cas: 85237-58-7
dtxsid: DTXSID501005719
formula: C20H18N2O3S
inchikey: WEXAOBVLOYDCGA-UHFFFAOYSA-N
norman_susdat_id: NS00063865
pubchem_cid: 3020561
smiles: O=C(NC1=CC=C(N)C(=C1)S(=O)(=O)C2=CC=C(C=C2)C)C=3C=CC=CC3
inchi:
InChI=1/C20H18N2O3S/c1-14-7-10-17(11-8-14)26(24,25)19-13-16(9-12-18(19)21)22-20(23)15-5-3-2-4-6-15/h2-13H,21H2,1H3,(H,22,23)


name: 3-Amino-5-benzamido-4-hydroxybenzenesulphonic acid
cas: 85237-59-8
chemspiderid: 2287417
dtxsid: DTXSID00234444
formula: C13H12N2O5S1
inchikey: CUQJYQHDIVIFIF-UHFFFAOYSA-N
norman_susdat_id: NS00038859
pubchem_cid: 3020562
smiles: Nc1c(O)c(NC(=O)c2ccccc2)cc(c1)S(=O)(=O)O
inchi:
InChI=1S/C13H12N2O5S/c14-10-6-9(21(18,19)20)7-11(12(10)16)15-13(17)8-4-2-1-3-5-8/h1-7,16H,14H2,(H,15,17)(H,18,19,20)


name: 5-Acetamido-2-hydroxy-3-nitrobenzenesulphonic acid
cas: 85237-60-1
chemspiderid: 4675576
dtxsid: DTXSID60234445
formula: C8H8N2O7S1
inchikey: GLJSOFXMPBZIEI-UHFFFAOYSA-N
norman_susdat_id: NS00038860
pubchem_cid: 5743933
smiles: CC(=O)Nc1cc(c(O)c(c1)[N+](=O)[O-])S(=O)(=O)O
inchi:
InChI=1S/C8H8N2O7S/c1-4(11)9-5-2-6(10(13)14)8(12)7(3-5)18(15,16)17/h2-3,12H,1H3,(H,9,11)(H,15,16,17)


name: 2-Acetamido-5-(((phenylamino)carbonyl)amino)benzoic acid
cas: 85237-61-2
chemspiderid: 2287418
dtxsid: DTXSID20234446
formula: C16H15N3O4
inchikey: COOFKYGVLDDFCE-UHFFFAOYSA-N
norman_susdat_id: NS00038861
pubchem_cid: 3020564
smiles: CC(=O)Nc1c(cc(NC(=O)Nc2ccccc2)cc1)C(=O)O
inchi:
InChI=1S/C16H15N3O4/c1-10(20)17-14-8-7-12(9-13(14)15(21)22)19-16(23)18-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,20)(H,21,22)(H2,18,19,23)


name: Dihexyl 2,5-dihydroxy-d,d,d',d'-tetramethylbenzene-1,4-divalerate
cas: 85238-64-8
formula: C32H54O6
inchikey: ZJTCHWNYUAHHDJ-UHFFFAOYSA-N
norman_susdat_id: NS00063582
pubchem_cid: 174431
smiles: O=C(OCCCCCC)CCCC(C1=CC(O)=C(C=C1O)C(C)(C)CCCC(=O)OCCCCCC)(C)C
inchi:
InChI=1/C32H54O6/c1-7-9-11-13-21-37-29(35)17-15-19-31(3,4)25-23-28(34)26(24-27(25)33)32(5,6)20-16-18-30(36)38-22-14-12-10-8-2/h23-24,33-34H,7-22H2,1-6H3


name: (S)-1-Benzoyl-N,N-dibutyl-5-oxopyrrolidine-2-carboxamide
cas: 85248-87-9
chemspiderid: 117797
dtxsid: DTXSID70234456
formula: C20H28N2O3
inchikey: ZASBADBZECAFKT-KRWDZBQOSA-N
norman_susdat_id: NS00038874
pubchem_cid: 21116957
smiles: CCCCN(CCCC)C(=O)C1CCC(=O)N1C(=O)c1ccccc1
inchi:
InChI=1S/C20H28N2O3/c1-3-5-14-21(15-6-4-2)20(25)17-12-13-18(23)22(17)19(24)16-10-8-7-9-11-16/h7-11,17H,3-6,12-15H2,1-2H3/t17-/m0/s1


name: Pentachromium dihydroxide pentasulphate
cas: 85251-54-3
formula: Cr4H2O22S5
inchi: InChI=1/5Cr.5H2O4S.2H2O/c;;;;;5*1-5(2,3)4;;/h;;;;;5*(H2,1,2,3,4);2*1H2/q5*+2;;;;;;;/p-12
inchikey: XGVGSVLZXKZUSE-UHFFFAOYSA-B
norman_susdat_id: NS00091605
smiles:
[OH-].[OH-].[Cr+2].[Cr+2].[Cr+2].[Cr+2].[Cr+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]


name: 5-chloro-2-methoxybenzenediazonium tetrachlorozincate (2:1)
cas: 85252-22-8
formula: C7H6ClN2O.1/2Cl4Zn
inchikey: YHUGASVQWCSKGW-UHFFFAOYSA-J
norman_susdat_id: NS00093217
smiles: COc1ccc(Cl)cc1[N+]#N.COc2ccc(Cl)cc2[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C7H6ClN2O.4ClH.Zn/c2*1-11-7-3-2-5(8)4-6(7)10-9;;;;;/h2*2-4H,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C7H6ClN2O.Cl4Zn/c2*1-11-7-3-2-5(8)4-6(7)10-9;1-5(2,3)4/h2*2-4H,1H3;/q2*+1;-2


name: Isodecyl salicylate
cas: 85252-25-1
chemspiderid: 8036160
dtxsid: DTXSID90234458
formula: C17H26O3
inchikey: PJTNSWOJMXNNFG-UHFFFAOYSA-N
norman_susdat_id: NS00022839
pubchem_cid: 9860461
smiles: CC(C)CCCCCCCOC(=O)c1ccccc1O
inchi:
InChI=1S/C17H26O3/c1-14(2)10-6-4-3-5-9-13-20-17(19)15-11-7-8-12-16(15)18/h7-8,11-12,14,18H,3-6,9-10,13H2,1-2H3


name: 2-hydroxy-5,6-ditetradecyl-1,3,2-benzodioxaborole
cas: 85252-27-3
formula: C34H61BO3
inchikey: GRYZCQIFGJNNOW-UHFFFAOYSA-N
norman_susdat_id: NS00092557
smiles: CCCCCCCCCCCCCCc1cc2OB(O)Oc2cc1CCCCCCCCCCCCCC
inchi:
InChI=1/C34H61BO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-29-33-34(38-35(36)37-33)30-32(31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,36H,3-28H2,1-2H3


name: (Z)-octadec-9-enylamine, compound with 2-hydroxy-5,6-ditetradecyl-1,3,2-benzodioxaborole (1:1)
cas: 85252-28-4
formula: C34H61BO3.C18H37N
inchikey: OGYZXBZFYILFAN-SVMKZPJVSA-N
norman_susdat_id: NS00092845
smiles: CCCCCCCCCCCCCCc1cc2OB(O)Oc2cc1CCCCCCCCCCCCCC.CCCCCCCC\C=C/CCCCCCCCN
inchi:
InChI=1/C34H61BO3.C18H37N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-29-33-34(38-35(36)37-33)30-32(31)28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h29-30,36H,3-28H2,1-2H3;9-10H,2-8,11-19H2,1H3


name: 4,5-Ditetradecylpyrocatechol
cas: 85252-29-5
chemspiderid: 2287435
dtxsid: DTXSID60234460
formula: C34H62O2
inchikey: OMODHVXQNAUNEM-UHFFFAOYSA-N
norman_susdat_id: NS00038875
pubchem_cid: 3020584
smiles: CCCCCCCCCCCCCCc1cc(O)c(O)cc1CCCCCCCCCCCCCC
inchi:
InChI=1S/C34H62O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-29-33(35)34(36)30-32(31)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,35-36H,3-28H2,1-2H3


name: Sodium 4-[[4-[(nitrophenyl)nitrosoamino]phenyl]azo]benzenesulphonate
cas: 85252-32-0
formula: C18H14N5O6S
inchikey: IDKOWUHJHMOTPZ-UHFFFAOYSA-M
norman_susdat_id: NS00065234
pubchem_cid: NA
smiles: [Na+].O=NN(C1=CC=C(N=NC2=CC=C(C=C2)S(=O)(=O)[O-])C=C1)C=3C=CC=CC3[N+](=O)[O-]
inchi:
InChI=1/C18H13N5O6S.Na/c24-21-22(17-3-1-2-4-18(17)23(25)26)15-9-5-13(6-10-15)19-20-14-7-11-16(12-8-14)30(27,28)29;/h1-12H,(H,27,28,29);/q;+1/p-1


name: N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)maleimide
cas: 852527-40-3
chemspiderid: 9332305
dtxsid: DTXSID40457130
formula: C15H8F17N1O2
inchikey: QGVHMBIQPGFCFW-UHFFFAOYSA-N
norman_susdat_id: NS00019265
pubchem_cid: 11157197
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCN1C(=O)C=CC1=O
inchi:
InChI=1S/C15H8F17NO2/c16-8(17,4-1-5-33-6(34)2-3-7(33)35)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h2-3H,1,4-5H2


name: 1-(4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl)-1H-pyrrole-2,5-dione
cas: 852527-41-4
chemspiderid: 9469030
dtxsid: DTXSID50461485
formula: C13H8F13N1O2
inchikey: XCBJTYHAGWXMIM-UHFFFAOYSA-N
norman_susdat_id: NS00019266
pubchem_cid: 11294045
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCN1C(=O)C=CC1=O
inchi:
InChI=1S/C13H8F13NO2/c14-8(15,4-1-5-27-6(28)2-3-7(27)29)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h2-3H,1,4-5H2


name: 1-((Perfluorooctyl)propanoyloxy)pyrrolidine-2,5-dione
cas: 852527-45-8
chemspiderid: 9436836
dtxsid: DTXSID90460396
formula: C15H8F17N1O4
inchikey: PFSIGNUPTCQGSG-UHFFFAOYSA-N
norman_susdat_id: NS00019267
pubchem_cid: 11261812
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(=O)ON1C(=O)CCC1=O
inchi:
InChI=1S/C15H8F17NO4/c16-8(17,4-3-7(36)37-33-5(34)1-2-6(33)35)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-4H2


name: N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)iodoacetamide
cas: 852527-48-1
chemspiderid: 9356377
dtxsid: DTXSID40457832
formula: C13H9F17I1N1O1
inchikey: MFTQISGNRWTJNY-UHFFFAOYSA-N
norman_susdat_id: NS00019268
pubchem_cid: 11181288
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCNC(=O)CI
inchi:
InChI=1S/C13H9F17INO/c14-6(15,2-1-3-32-5(33)4-31)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h1-4H2,(H,32,33)


name: 2-Iodo-N-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)acetamide
cas: 852527-50-5
chemspiderid: 9562124
dtxsid: DTXSID20464266
formula: C11H9F13I1N1O1
inchikey: SAQMTNGZQLPXJU-UHFFFAOYSA-N
norman_susdat_id: NS00019269
pubchem_cid: 11387213
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCNC(=O)CI
inchi:
InChI=1S/C11H9F13INO/c12-6(13,2-1-3-26-5(27)4-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-4H2,(H,26,27)


name: 11-Azido-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoroundecane
cas: 852527-61-8
chemspiderid: 9561456
dtxsid: DTXSID60464260
formula: C11H6F17N3
inchikey: GYAWTXGPAGMMFQ-UHFFFAOYSA-N
norman_susdat_id: NS00019271
pubchem_cid: 11386544
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCN=[N+]=[N-]
inchi:
InChI=1S/C11H6F17N3/c12-4(13,2-1-3-30-31-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-3H2


name: N-Oxodecyl meglumine
cas: 85261-20-7
chemspiderid: 152139
dtxsid: DTXSID0075027
formula: C17H35N1O6
inchikey: UMWKZHPREXJQGR-XOSAIJSUSA-N
norman_susdat_id: NS00038876
pubchem_cid: 174432
smiles: CCCCCCCCCC(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
inchi:
InChI=1S/C17H35NO6/c1-3-4-5-6-7-8-9-10-15(22)18(2)11-13(20)16(23)17(24)14(21)12-19/h13-14,16-17,19-21,23-24H,3-12H2,1-2H3/t13-,14+,16+,17+/m0/s1


name: Benzyl docosanoate
cas: 85263-74-7
chemspiderid: 2287438
dtxsid: DTXSID80234462
formula: C29H50O2
inchikey: FYOGVGKALAEVBF-UHFFFAOYSA-N
norman_susdat_id: NS00038877
pubchem_cid: 3020589
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCc1ccccc1
inchi:
InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29(30)31-27-28-24-21-20-22-25-28/h20-22,24-25H,2-19,23,26-27H2,1H3


cas: 85269-30-3
formula: C25H30N3.1/2O4S
inchikey: BUCKMOUIYMDBRU-UHFFFAOYSA-L
norman_susdat_id: NS00092564
name:
[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]dimethylammonium sulphate (2:1)

inchi:
InChI=1/2C25H30N3.H2O4S/c2*1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;1-5(2,3)4/h2*7-18H,1-6H3;(H2,1,2,3,4)/q2*+1;/p-2

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


cas: 85269-32-5
formula: C34H26N6O17S5.xC6H15NO3.xK
inchikey: XCBXFHLLTWOMSC-UHFFFAOYSA-M
norman_susdat_id: NS00092846
name:
2,7-Naphthalenedisulfonic acid, 5-amino-3-[[4-[2-[4-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]azo]-4-hydroxy-, potassium salt, compd. with 2,2',2''-nitrilotris[ethanol]

inchi:
InChI=1/C34H26N6O17S5.C6H15NO3.K/c35-20-6-3-18-10-28(61(52,53)54)31(33(41)24(18)12-20)39-37-21-7-4-16(26(13-21)59(46,47)48)1-2-17-5-8-22(14-27(17)60(49,50)51)38-40-32-29(62(55,56)57)11-19-9-23(58(43,44)45)15-25(36)30(19)34(32)42;8-4-1-7(2-5-9)3-6-10;/h1-15,41-42H,35-36H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);8-10H,1-6H2;/q;;+1/p-1

smiles:
[K+].OCCN(CCO)CCO.OS(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc5ccc(C=Cc2ccc(cc2S(O)(=O)=O)N=Nc4c(cc3cc(cc(N)c3c4O)S(O)(=O)=O)S([O-])(=O)=O)c(c5)S(O)(=O)=O


cas: 85280-21-3
dtxsid: DTXSID901005761
formula: C21H17N3O7S2
inchikey: DLHUBHGUFOJHRR-UHFFFAOYSA-M
norman_susdat_id: NS00065236
pubchem_cid: 174435
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC4=CC=C(C=C4S(=O)(=O)N)C
name:
Sodium 1-amino-4-[[(aminosulphonyl)-4-methylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C21H17N3O7S2.Na/c1-10-6-7-13(15(8-10)32(23,27)28)24-14-9-16(33(29,30)31)19(22)18-17(14)20(25)11-4-2-3-5-12(11)21(18)26;/h2-9,24H,22H2,1H3,(H2,23,27,28)(H,29,30,31);/q;+1/p-1


cas: 85283-57-4
formula: C28H21N6O9S2
inchikey: QRIUFQNTIDQYLR-UHFFFAOYSA-L
norman_susdat_id: NS00065708
pubchem_cid: 135755693
name:
Disodium 8-[(4-hydroxyphenyl)azo]-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalenesulphonate

inchi:
InChI=1/C28H20N6O9S2.2Na/c35-21-11-8-19(9-12-21)31-33-25-15-14-23(22-2-1-3-26(28(22)25)44(38,39)40)32-30-18-6-4-17(5-7-18)29-24-13-10-20(34(36)37)16-27(24)45(41,42)43;;/h1-16,29,35H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC=3C=CC(N=NC4=CC=C(O)C=C4)=C5C3C=CC=C5S(=O)(=O)[O-])C=C2)C(=C1)S(=O)(=O)[O-]


cas: 85283-58-5
formula: C28H21N6O9S2
inchikey: QBXOCNILGWOLJV-UHFFFAOYSA-L
norman_susdat_id: NS00065709
pubchem_cid: 135755695
name:
Disodium 5-[(4-hydroxyphenyl)azo]-8-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C28H20N6O9S2.2Na/c35-21-8-5-19(6-9-21)31-32-25-13-14-26(24-16-22(44(38,39)40)10-11-23(24)25)33-30-18-3-1-17(2-4-18)29-27-12-7-20(34(36)37)15-28(27)45(41,42)43;;/h1-16,29,35H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC3=CC=C(N=NC4=CC=C(O)C=C4)C=5C=CC(=CC35)S(=O)(=O)[O-])C=C2)C(=C1)S(=O)(=O)[O-]


name: 4-[(4-amino-m-tolyl)(4-imino-3-methyl-2,5-cyclohexadien-1-ylidene)methyl]-o-toluidine monoacetate
cas: 85283-61-0
formula: C22H23N3.C2H4O2
inchikey: MHFOTLKZLUJHBW-UHFFFAOYSA-N
norman_susdat_id: NS00092558
smiles: CC(=O)O.CC1=CC(=C(c2ccc(N)c(C)c2)c3ccc(N)c(C)c3)C=CC1=N
inchi:
InChI=1/C22H23N3.C2H4O2/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;1-2(3)4/h4-12,23H,24-25H2,1-3H3;1H3,(H,3,4)


name: Diethyl(2-hydroxyethyl)ammonium 2-(lactoyloxy)propionate
cas: 85283-67-6
formula: C6H15NO.C6H10O5
inchikey: WWKNAEKQZAKHLE-UHFFFAOYSA-N
norman_susdat_id: NS00092577
smiles: CC[NH+](CC)CCO.CC(O)C(=O)OC(C)C(=O)[O-]
inchi:
InChI=1/C6H15NO.C6H10O5/c1-3-7(4-2)5-6-8;1-3(7)6(10)11-4(2)5(8)9/h8H,3-6H2,1-2H3;3-4,7H,1-2H3,(H,8,9)


cas: 85283-75-6
formula: C22H29N6S.C2H3O2
inchikey: WBUGQSGOTQQYPI-UHFFFAOYSA-M
norman_susdat_id: NS00092578
smiles: [O-]C(C)=O.C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3
name:
[2-[ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium acetate

inchi:
InChI=1/C22H29N6S.C2H4O2/c1-6-27(14-15-28(3,4)5)19-12-13-20(17(2)16-19)24-25-22-23-21(26-29-22)18-10-8-7-9-11-18;1-2(3)4/h7-13,16H,6,14-15H2,1-5H3;1H3,(H,3,4)/q+1;/p-1


cas: 85283-76-7
formula: C22H29N6S.1/2O4S
inchikey: OOWAOAQRKOTNCL-UHFFFAOYSA-L
norman_susdat_id: NS00093219
name:
[2-[ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium sulphate

inchi:
InChI=1/2C22H29N6S.H2O4S/c2*1-6-27(14-15-28(3,4)5)19-12-13-20(17(2)16-19)24-25-22-23-21(26-29-22)18-10-8-7-9-11-18;1-5(2,3)4/h2*7-13,16H,6,14-15H2,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
[O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3.C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3


cas: 85283-77-8
formula: C22H29N6S.Cl
inchikey: XVIPFKKMPYQLDA-UHFFFAOYSA-M
norman_susdat_id: NS00093226
smiles: [Cl-].C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3
name:
[2-[ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium chloride

inchi:
InChI=1/C22H29N6S.ClH/c1-6-27(14-15-28(3,4)5)19-12-13-20(17(2)16-19)24-25-22-23-21(26-29-22)18-10-8-7-9-11-18;/h7-13,16H,6,14-15H2,1-5H3;1H/q+1;/p-1


cas: 85283-78-9
formula: C29H29N2O.HO4S
inchikey: NJPNVCQLPSZMHN-UHFFFAOYSA-L
norman_susdat_id: NS00092559
smiles: COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\C=C\c3c(c4ccccc4)n(C)c5ccccc35.[O-]S(=O)(=O)[O-]
name:
5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium hydrogen sulphate

inchi:
InChI=1/C29H29N2O.H2O4S/c1-29(2)24-19-21(32-5)15-17-26(24)30(3)27(29)18-16-23-22-13-9-10-14-25(22)31(4)28(23)20-11-7-6-8-12-20;1-5(2,3)4/h6-19H,1-5H3;(H2,1,2,3,4)/q+1;/p-2


name: 5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium sulphate (2:1)
cas: 85283-79-0
formula: C29H29N2O.1/2O4S
inchikey: NIUGKBGUKZLVDF-UHFFFAOYSA-L
norman_susdat_id: NS00092856
inchi:
InChI=1/2C29H29N2O.H2O4S/c2*1-29(2)24-19-21(32-5)15-17-26(24)30(3)27(29)18-16-23-22-13-9-10-14-25(22)31(4)28(23)20-11-7-6-8-12-20;1-5(2,3)4/h2*6-19H,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\C=C\c3c(c4ccccc4)n(C)c5ccccc35.COc6ccc7c(c6)C(C)(C)C(=[N+]7C)\C=C\c8c(c9ccccc9)n(C)c%10ccccc8%10.[O-]S(=O)(=O)[O-]


cas: 85283-80-3
formula: C27H30N3O2.H2O4P
inchikey: YIQKPKIXSAFTCP-UHFFFAOYSA-L
norman_susdat_id: NS00092857
smiles: Cc1ccc(Nc2ccc(NCCC[N+](C)(C)C)c3C(=O)c4ccccc4C(=O)c23)cc1.[O-]P(=O)([O-])[O-]
name:
3-[[9,10-dihydro-9,10-dioxo-4-[(p-tolyl)amino]-1-anthryl]amino]propyltrimethylammonium dihydrogen phosphate

inchi:
InChI=1/C27H29N3O2.H3O4P/c1-18-10-12-19(13-11-18)29-23-15-14-22(28-16-7-17-30(2,3)4)24-25(23)27(32)21-9-6-5-8-20(21)26(24)31;1-5(2,3)4/h5-6,8-15H,7,16-17H2,1-4H3,(H-,28,29,31,32);(H3,1,2,3,4)/p-2


cas: 85283-82-5
formula: C23H21N3O2.CH4O4S
inchikey: BMPHWERDCIUYLP-UHFFFAOYSA-N
norman_susdat_id: NS00092858
smiles: COS(=O)(=O)O.CN(C)Cc1cccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c1
name:
1-amino-4-[[3-[(dimethylamino)methyl]phenyl]amino]anthraquinone, compound with methyl hydrogen sulphate (1:1)

inchi:
InChI=1/C23H21N3O2.CH4O4S/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;1-5-6(2,3)4/h3-12,25H,13,24H2,1-2H3;1H3,(H,2,3,4)


name: 1-amino-4-[4-[(dimethylamino)methyl]anilino]anthraquinone, compound with sulphuric acid (2:1)
cas: 85283-84-7
formula: C23H21N3O2.1/2H2O4S
inchikey: VBASRSDMNSHXCO-UHFFFAOYSA-N
norman_susdat_id: NS00092579
inchi:
InChI=1/2C23H21N3O2.H2O4S/c2*1-26(2)13-14-7-9-15(10-8-14)25-19-12-11-18(24)20-21(19)23(28)17-6-4-3-5-16(17)22(20)27;1-5(2,3)4/h2*3-12,25H,13,24H2,1-2H3;(H2,1,2,3,4)

smiles:
CN(C)Cc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1.CN(C)Cc5ccc(Nc6ccc(N)c7C(=O)c8ccccc8C(=O)c67)cc5.OS(=O)(=O)O


name: 1-amino-4-[[4-[2-(diethylamino)ethoxy]phenyl]amino]anthraquinone monoacetate
cas: 85283-85-8
dtxsid: DTXSID90234478
formula: C26H27N3O3
inchikey: WJWVABVSKCSYRS-UHFFFAOYSA-N
norman_susdat_id: NS00066413
pubchem_cid: 44151796
smiles: O=C(O)C.O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(N)C13)NC4=CC=C(OCCN(CC)CC)C=C4
inchi:
InChI=1/C26H27N3O3.C2H4O2/c1-3-29(4-2)15-16-32-18-11-9-17(10-12-18)28-22-14-13-21(27)23-24(22)26(31)20-8-6-5-7-19(20)25(23)30;1-2(3)4/h5-14,28H,3-4,15-16,27H2,1-2H3;1H3,(H,3,4)


name: Bis[2-[[4-(dimethylamino)phenyl]azo]-6-methoxy-3-methylbenzothiazolium] sulphate
cas: 85283-87-0
formula: C17H19N4OS.1/2O4S
inchikey: LRFKECSFBCXVNM-UHFFFAOYSA-L
norman_susdat_id: NS00093227
smiles: [O-]S([O-])(=O)=O.CN(C)c1ccc(cc1)N=Nc3sc2cc(OC)ccc2[n+]3C.CN(C)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC
inchi:
InChI=1/2C17H19N4OS.H2O4S/c2*1-20(2)13-7-5-12(6-8-13)18-19-17-21(3)15-10-9-14(22-4)11-16(15)23-17;1-5(2,3)4/h2*5-11H,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2


cas: 85283-88-1
formula: C27H31N2O.CH3O4S
inchikey: KSFIHOSCNRHTLS-UHFFFAOYSA-M
norman_susdat_id: NS00092572
smiles: CC[N+]1=C(c2ccc3N(CCO)C(C)(C)CC(C)c3c2)c4cccc5cccc1c45.COS(=O)(=O)[O-]
name:
1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolyl]benz[cd]indolium methyl sulphate

inchi:
InChI=1/C27H31N2O.CH4O4S/c1-5-28-24-11-7-9-19-8-6-10-21(25(19)24)26(28)20-12-13-23-22(16-20)18(2)17-27(3,4)29(23)14-15-30;1-5-6(2,3)4/h6-13,16,18,30H,5,14-15,17H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: 6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenz[cd]indolium hydrogen sulphate
cas: 85283-89-2
formula: C23H24BrN2.HO4S
inchikey: WHUVOMNDVURCTB-UHFFFAOYSA-L
norman_susdat_id: NS00092861
smiles: CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C23H24BrN2.H2O4S/c1-4-25(5-2)17-12-10-16(11-13-17)23-19-9-7-8-18-20(24)14-15-21(22(18)19)26(23)6-3;1-5(2,3)4/h7-15H,4-6H2,1-3H3;(H2,1,2,3,4)/q+1;/p-2


name: 6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenz[cd]indolium sulphate (2:1)
cas: 85283-91-6
formula: C23H24BrN2.1/2O4S
inchikey: UDBRTIHODIYRRP-UHFFFAOYSA-L
norman_susdat_id: NS00092583
inchi:
InChI=1/2C23H24BrN2.H2O4S/c2*1-4-25(5-2)17-12-10-16(11-13-17)23-19-9-7-8-18-20(24)14-15-21(22(18)19)26(23)6-3;1-5(2,3)4/h2*7-15H,4-6H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34.CCN(CC)c5ccc(cc5)C6=[N+](CC)c7ccc(Br)c8cccc6c78.[O-]S(=O)(=O)[O-]


name: Bis[3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-9-ethyl-3H-carbazolium] sulphate
cas: 85283-93-8
formula: C27H27N2.1/2O4S
inchikey: RSWMCMBZUDHZRB-UHFFFAOYSA-L
norman_susdat_id: NS00092573
inchi:
InChI=1/2C27H27N2.H2O4S/c2*1-5-29-23-12-8-6-10-20(23)21-18-19(14-16-24(21)29)15-17-26-27(2,3)22-11-7-9-13-25(22)28(26)4;1-5(2,3)4/h2*6-18H,5H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
[O-]S([O-])(=O)=O.CC[N+]=2c1ccccc1/C/3=C/C(/C=C\C=2\3)=CC=C5N(C)c4ccccc4C5(C)C.CC[N+]=2c1ccccc1/C/3=C/C(/C=C\C=2\3)=CC=C5N(C)c4ccccc4C5(C)C


cas: 85283-94-9
formula: C27H27N2.HO4S
inchikey: VJKNNNJQUPOMQS-UHFFFAOYSA-M
norman_susdat_id: NS00092862
smiles: [H+].[O-]S([O-])(=O)=O.CC[N+]=2c1ccccc1/C/3=C/C(/C=C\C=2\3)=CC=C5N(C)c4ccccc4C5(C)C
name:
3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-9-ethyl-3H-carbazolium hydrogen sulphate

inchi:
InChI=1/C27H27N2.H2O4S.H2/c1-5-29-23-12-8-6-10-20(23)21-18-19(14-16-24(21)29)15-17-26-27(2,3)22-11-7-9-13-25(22)28(26)4;1-5(2,3)4;/h6-18H,5H2,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


name: 2-[2-[4-(diethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate
cas: 85283-95-0
formula: C23H29N2.HO4S
inchikey: DDCQOMCTMUPVHS-UHFFFAOYSA-L
norman_susdat_id: NS00092874
smiles: CCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C23H29N2.H2O4S/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;1-5(2,3)4/h8-17H,6-7H2,1-5H3;(H2,1,2,3,4)/q+1;/p-2


cas: 85283-97-2
formula: C30H26N6O12S3
inchikey: YIGASRMLRPKPTD-UHFFFAOYSA-M
norman_susdat_id: NS00066414
pubchem_cid: 136075841
name:
2,7-Naphthalenedisulfonic acid, 4-[[4'-[(2,4-diamino-5-sulfophenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-3-hydroxy-, sodium salt, compd. with 2,2',2''-[nitrilotris(2,1-ethanediyloxy)]tris[ethanol]

inchi:
InChI=1/C30H26N6O12S3.C12H27NO6.Na/c1-47-25-10-15(3-7-22(25)33-35-24-14-27(50(41,42)43)21(32)13-20(24)31)16-4-8-23(26(11-16)48-2)34-36-29-19-6-5-18(49(38,39)40)9-17(19)12-28(30(29)37)51(44,45)46;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;/h3-14,37H,31-32H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,44,45,46);14-16H,1-12H2;/q;;+1/p-1

smiles:
[Na+].O=S(=O)([O-])C1=CC2=CC(=CC=C2C(N=NC3=CC=C(C=C3OC)C4=CC=C(N=NC=5C=C(C(N)=CC5N)S(=O)(=O)O)C(OC)=C4)=C1O)S(=O)(=O)O.OCCOCCN(CCOCCO)CCOCCO


cas: 85283-98-3
formula: C36H31N10O14S3
inchikey: XZHVZAZJFIXCCO-UHFFFAOYSA-M
norman_susdat_id: NS00066415
pubchem_cid: NA
name:
2,7-Naphthalenedisulfonic acid, 4-amino-6-[[4'-[(2,4-diamino-5-sulfophenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-3-[(4-nitrophenyl)azo]-, sodium salt, compd. with 2,2',2''-[nitrilotris(2,1-ethanediyloxy)]tris[ethanol]

inchi:
InChI=1/C36H30N10O14S3.C12H27NO6.Na/c1-59-27-11-17(3-9-24(27)41-43-26-16-29(61(50,51)52)23(38)15-22(26)37)18-4-10-25(28(12-18)60-2)42-45-35-31(63(56,57)58)14-19-13-30(62(53,54)55)34(33(39)32(19)36(35)47)44-40-20-5-7-21(8-6-20)46(48)49;14-4-10-17-7-1-13(2-8-18-11-5-15)3-9-19-12-6-16;/h3-16,47H,37-39H2,1-2H3,(H,50,51,52)(H,53,54,55)(H,56,57,58);14-16H,1-12H2;/q;;+1/p-1

smiles:
[Na+].O=[N+]([O-])C1=CC=C(N=NC2=C(N)C=3C(O)=C(N=NC4=CC=C(C=C4OC)C=5C=CC(N=NC=6C=C(C(N)=CC6N)S(=O)(=O)O)=C(OC)C5)C(=CC3C=C2S(=O)(=O)[O-])S(=O)(=O)O)C=C1.OCCOCCN(CCOCCO)CCOCCO


cas: 85284-01-1
formula: C27H31N2O.1/2O4S
inchikey: RSPKMDCFCRLHGY-UHFFFAOYSA-L
norman_susdat_id: NS00092584
name:
1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolyl]benz[cd]indolium sulphate (2:1)

inchi:
InChI=1/2C27H31N2O.H2O4S/c2*1-5-28-24-11-7-9-19-8-6-10-21(25(19)24)26(28)20-12-13-23-22(16-20)18(2)17-27(3,4)29(23)14-15-30;1-5(2,3)4/h2*6-13,16,18,30H,5,14-15,17H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
CC[N+]1=C(c2ccc3N(CCO)C(C)(C)CC(C)c3c2)c4cccc5cccc1c45.CC[N+]6=C(c7ccc8N(CCO)C(C)(C)CC(C)c8c7)c9cccc%10cccc6c9%10.[O-]S(=O)(=O)[O-]


name: Bis(2-(2-butoxyethoxy)ethyl) dodecanedioate
cas: 85284-11-3
chemspiderid: 2287442
dtxsid: DTXSID80234482
formula: C28H54O8
inchikey: MNXUDVUBHYBLQH-UHFFFAOYSA-N
norman_susdat_id: NS00038881
pubchem_cid: 3020598
smiles: CCCCOCCOCCOC(=O)CCCCCCCCCCC(=O)OCCOCCOCCCC
inchi:
InChI=1S/C28H54O8/c1-3-5-17-31-19-21-33-23-25-35-27(29)15-13-11-9-7-8-10-12-14-16-28(30)36-26-24-34-22-20-32-18-6-4-2/h3-26H2,1-2H3


name: Bis(2-(2-butoxyethoxy)ethyl) undecanedioate
cas: 85284-12-4
chemspiderid: 2287443
dtxsid: DTXSID40234483
formula: C27H52O8
inchikey: PAVCUFXONGUODS-UHFFFAOYSA-N
norman_susdat_id: NS00038882
pubchem_cid: 3020599
smiles: CCCCOCCOCCOC(=O)CCCCCCCCCC(=O)OCCOCCOCCCC
inchi:
InChI=1S/C27H52O8/c1-3-5-16-30-18-20-32-22-24-34-26(28)14-12-10-8-7-9-11-13-15-27(29)35-25-23-33-21-19-31-17-6-4-2/h3-25H2,1-2H3


name: Bis(2-butoxyethyl) dodecanedioate
cas: 85284-13-5
dtxsid: DTXSID901005773
formula: C24H46O6
inchikey: MASQEGKFFCANLK-UHFFFAOYSA-N
norman_susdat_id: NS00065731
pubchem_cid: 3020600
smiles: O=C(OCCOCCCC)CCCCCCCCCCC(=O)OCCOCCCC
inchi:
InChI=1/C24H46O6/c1-3-5-17-27-19-21-29-23(25)15-13-11-9-7-8-10-12-14-16-24(26)30-22-20-28-18-6-4-2/h3-22H2,1-2H3


name: Bis(2-butoxyethyl) undecanedioate
cas: 85284-14-6
chemspiderid: 2287445
dtxsid: DTXSID00234484
formula: C23H44O6
inchikey: QDDSVTIBJSLCJB-UHFFFAOYSA-N
norman_susdat_id: NS00038883
pubchem_cid: 3020601
smiles: CCCCOCCOC(=O)CCCCCCCCCC(=O)OCCOCCCC
inchi:
InChI=1S/C23H44O6/c1-3-5-16-26-18-20-28-22(24)14-12-10-8-7-9-11-13-15-23(25)29-21-19-27-17-6-4-2/h3-21H2,1-2H3


name: Sodium 4-{[(4E)-4,6-dimethylhept-4-en-3-yl]oxy}benzene-1-sulfonate
cas: 85284-15-7
chemspiderid: 4896698
dtxsid: DTXSID10881004
formula: C15H5F17O4S1
inchikey: MOCCJVUOTMVYOZ-UHFFFAOYSA-M
norman_susdat_id: NS00019272
pubchem_cid: 53438024
smiles: [Na+].[O-]S(=O)(=O)C1=CC=C(OC(F)(C(=C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C15H5F17O4S/c16-8(9(17,13(24,25)26)14(27,28)29)7(11(19,20)21)10(18,12(22,23)15(30,31)32)36-5-1-3-6(4-2-5)37(33,34)35/h1-4H,(H,33,34,35)/b8-7+


name: Sodium 4-(perfluoro(2-methylpent-2-en-3-yl)oxy)benzene-1-sulfonate
cas: 85284-17-9
chemspiderid: 2287446
dtxsid: DTXSID20234486
formula: C12H5F11O4S1
inchikey: VLOGHPGPUCKSEA-UHFFFAOYSA-M
norman_susdat_id: NS00019273
pubchem_cid: 23662537
smiles: [Na+].[O-]S(=O)(=O)C1=CC=C(OC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C12H5F11O4S/c13-9(14,12(21,22)23)8(7(10(15,16)17)11(18,19)20)27-5-1-3-6(4-2-5)28(24,25)26/h1-4H,(H,24,25,26)


name: Diethyl[2-[3-(2-furyl)-2-(2-naphthylmethyl)propionyloxy]ethyl]ammonium dihydrogen citrate
cas: 85293-34-1
formula: C24H33NO3.C6H8O7
inchikey: AUSMPIIKVKFBPZ-UHFFFAOYSA-L
norman_susdat_id: NS00093228
smiles: CC[NH+](CC)CCOC(=O)C(Cc1occc1)Cc2ccc3ccccc3c2.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C24H29NO3.C6H8O7/c1-3-25(4-2)13-15-28-24(26)22(18-23-10-7-14-27-23)17-19-11-12-20-8-5-6-9-21(20)16-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-12,14,16,22H,3-4,13,15,17-18H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2


name: [2-[(furan-2-ylmethyl)thio]ethyl]guanidinium sulphate (2:1)
cas: 85293-44-3
dtxsid: DTXSID401005780
formula: C8H13N3OS
inchikey: HTLHWSLHGPNYHS-UHFFFAOYSA-N
norman_susdat_id: NS00065255
pubchem_cid: 44145558
smiles: O=S(=O)([O-])[O-].N=C(N)[NH2+]CCSCC=1OC=CC1.N=C(N)[NH2+]CCSCC=1OC=CC1
inchi:
InChI=1/2C8H13N3OS.H2O4S/c2*9-8(10)11-3-5-13-6-7-2-1-4-12-7;1-5(2,3)4/h2*1-2,4H,3,5-6H2,(H4,9,10,11);(H2,1,2,3,4)


name: 5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium methyl sulphate
cas: 85294-28-6
formula: C29H29N2O.CH3O4S
inchikey: GGTWTLWITILSJS-UHFFFAOYSA-M
norman_susdat_id: NS00092600
smiles: COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\C=C\c3c(c4ccccc4)n(C)c5ccccc35.COS(=O)(=O)[O-]
inchi:
InChI=1/C29H29N2O.CH4O4S/c1-29(2)24-19-21(32-5)15-17-26(24)30(3)27(29)18-16-23-22-13-9-10-14-25(22)31(4)28(23)20-11-7-6-8-12-20;1-5-6(2,3)4/h6-19H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1


name: Dehydroepiandrosterone acetate
cas: 853-23-6
chebiid: CHEBI:135410
chemspiderid: 14033
dtxsid: DTXSID3020380
formula: C21H30O3
inchikey: NCMZQTLCXHGLOK-ZKHIMWLXSA-N
norman_susdat_id: NS00038884
pubchem_cid: 14709
smiles: CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
inchi:
InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1


name: Kebuzone
cas: 853-34-9
chebiid: CHEBI:31749
chemspiderid: 3692
dtxsid: DTXSID00234500
formula: C19H18N2O3
inchikey: LGYTZKPVOAIUKX-UHFFFAOYSA-N
norman_susdat_id: NS00009672
pubchem_cid: 3824
smiles: CC(=O)CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3


name: Disodium 9,10-dihydro-9,10-dioxoanthracene-1,5-disulphonate
cas: 853-35-0
formula: C14H8O8S2.2Na
inchikey: OFASSSMJNCWWTP-UHFFFAOYSA-L
norman_susdat_id: NS00079837
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1cccc2C(=O)c3c(cccc3S(=O)(=O)[O-])C(=O)c12
inchi:
InChI=1/C14H8O8S2.2Na/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)8-4-2-6-10(12(8)13)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2


name: Emiglitate
cas: 853-66-7
chemspiderid: 65003
formula: C17H25N1O7
inchikey: NWWORXYTJRPSMC-QKPAOTATSA-N
norman_susdat_id: NS00011753
pubchem_cid: 72004
smiles: CCOC(=O)c1ccc(cc1)OCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O
inchi:
InChI=1S/C17H25NO7/c1-2-24-17(23)11-3-5-12(6-4-11)25-8-7-18-9-14(20)16(22)15(21)13(18)10-19/h3-6,13-16,19-22H,2,7-10H2,1H3/t13-,14+,15-,16-/m1/s1


name: Disodium 9,10-dihydro-9,10-dioxoanthracene-2,7-disulphonate
cas: 853-67-8
formula: C14H8O8S2.2Na
inchikey: CSCLXYAAXMCWLG-UHFFFAOYSA-L
norman_susdat_id: NS00080094
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)S(=O)(=O)[O-]
inchi:
InChI=1/C14H8O8S2.2Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)12-6-8(24(20,21)22)2-4-10(12)13;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2


name: Disodium 9,10-dihydro-9,10-dioxoanthracene-2,6-disulphonate
cas: 853-68-9
formula: C14H8O8S2.2Na
inchikey: PKOVWEHDVFYKHL-UHFFFAOYSA-L
norman_susdat_id: NS00079838
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)S(=O)(=O)[O-]
inchi:
InChI=1/C14H8O8S2.2Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2


cas: 853029-57-9
chemspiderid: 26519352
dtxsid: DTXSID00647176
formula: C20H17Br1N6O2
inchikey: RCZJXCXNYGHNSR-UHFFFAOYSA-N
norman_susdat_id: NS00007818
pubchem_cid: 24750049
smiles: CC#CCn1c(Br)nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12
name:
8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione

inchi:
InChI=1S/C20H17BrN6O2/c1-4-5-10-26-16-17(24-19(26)21)25(3)20(29)27(18(16)28)11-15-22-12(2)13-8-6-7-9-14(13)23-15/h6-9H,10-11H2,1-3H3


cas: 85305-12-0
formula: C37H44N14O4S
inchikey: NMUDNLQHEWLJAH-UHFFFAOYSA-N
norman_susdat_id: NS00065269
pubchem_cid: 135755697
name:
7-[[4,6-bis[4-(2-aminoethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-(phenylazo)phenyl]azo]naphthalene-2-sulphonic acid hydrochloride

inchi:
InChI=1/C37H44N14O4S.ClH/c38-12-14-48-16-20-50(21-17-48)36-41-35(42-37(43-36)51-22-18-49(15-13-39)19-23-51)40-30-10-11-31-26(24-30)25-32(56(53,54)55)33(34(31)52)47-46-29-8-6-28(7-9-29)45-44-27-4-2-1-3-5-27;/h1-11,24-25,52H,12-23,38-39H2,(H,53,54,55)(H,40,41,42,43);1H

smiles:
Cl.O=S(=O)(O)C=1C=C2C=C(C=CC2=C(O)C1N=NC3=CC=C(N=NC=4C=CC=CC4)C=C3)NC=5N=C(N=C(N5)N6CCN(CCN)CC6)N7CCN(CCN)CC7


cas: 85305-17-5
formula: C39H45N13O4S2
inchikey: IYOLGDGAALODEQ-UHFFFAOYSA-N
norman_susdat_id: NS00063606
pubchem_cid: 135853984
name:
7-[[4,6-bis[4-(2-aminoethyl)-1-piperazinyl]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-(6-methylbenzothiazol-2-yl)phenyl]azo]naphthalene-2-sulphonic acid hydrochloride

inchi:
InChI=1/C39H45N13O4S2.ClH/c1-25-2-9-31-32(22-25)57-36(43-31)26-3-5-28(6-4-26)47-48-34-33(58(54,55)56)24-27-23-29(7-8-30(27)35(34)53)42-37-44-38(51-18-14-49(12-10-40)15-19-51)46-39(45-37)52-20-16-50(13-11-41)17-21-52;/h2-9,22-24,53H,10-21,40-41H2,1H3,(H,54,55,56)(H,42,44,45,46);1H

smiles:
Cl.O=S(=O)(O)C=1C=C2C=C(C=CC2=C(O)C1N=NC3=CC=C(C=C3)C4=NC5=CC=C(C=C5S4)C)NC=6N=C(N=C(N6)N7CCN(CCN)CC7)N8CCN(CCN)CC8


name: Dimethylbis[2-(oleoyloxy)ethyl]ammonium methyl phosphonate
cas: 85305-19-7
formula: C42H80NO4
inchikey: NNGOGFJMSQQMOP-JDVCJPALSA-M
norman_susdat_id: NS00063352
pubchem_cid: NA
smiles: O=C(OCC[N+](C)(C)CCOC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC.O=P([O-])OC
inchi:
InChI=1/C42H80NO4.CH5O3P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(44)46-39-37-43(3,4)38-40-47-42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-4-5(2)3/h19-22H,5-18,23-40H2,1-4H3;5H,1H3,(H,2,3)/q+1;/p-1


name: 2,4,6-tris[1-(methylphenyl)ethyl]phenol
cas: 85305-20-0
dtxsid: DTXSID901005797
formula: C33H36O
inchikey: ZTULFNZHLNQJQG-UHFFFAOYSA-N
norman_susdat_id: NS00063927
pubchem_cid: 3020609
smiles: OC=1C(=CC(=CC1C(C=2C=CC=CC2C)C)C(C=3C=CC=CC3C)C)C(C=4C=CC=CC4C)C
inchi:
InChI=1/C33H36O/c1-21-13-7-10-16-28(21)24(4)27-19-31(25(5)29-17-11-8-14-22(29)2)33(34)32(20-27)26(6)30-18-12-9-15-23(30)3/h7-20,24-26,34H,1-6H3


cas: 85305-24-4
formula: C23H21N3O2.CH4O4S
inchikey: XZDUIYPMMINGKG-UHFFFAOYSA-N
norman_susdat_id: NS00091617
smiles: COS(=O)(=O)O.CN(C)Cc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23
name:
1-amino-4-[[[(dimethylamino)methyl]phenyl]amino]anthraquinone, compound with methyl hydrogen sulphate (1:1)

inchi:
InChI=1/C23H21N3O2.CH4O4S/c1-26(2)13-14-7-3-6-10-18(14)25-19-12-11-17(24)20-21(19)23(28)16-9-5-4-8-15(16)22(20)27;1-5-6(2,3)4/h3-12,25H,13,24H2,1-2H3;1H3,(H,2,3,4)


name: Bis(1,3-dihydroxybutyl)benzenediol
cas: 85305-28-8
dtxsid: DTXSID101005800
formula: C14H22O6
inchikey: LLYJFEWETFSPJK-UHFFFAOYSA-N
norman_susdat_id: NS00064795
pubchem_cid: 3020610
smiles: OC1=CC=C(C(=C1O)C(O)CC(O)C)C(O)CC(O)C
inchi:
InChI=1/C14H22O6/c1-7(15)5-11(18)9-3-4-10(17)14(20)13(9)12(19)6-8(2)16/h3-4,7-8,11-12,15-20H,5-6H2,1-2H3


cas: 85305-31-3
dtxsid: DTXSID801005801
formula: C37H37N2O6S2
inchikey: PGIREONJEJCORF-UHFFFAOYSA-N
norman_susdat_id: NS00063607
pubchem_cid: NA
name:
Hydrogen (ethyl)[4-[a-[4-[ethyl(sulphonatobenzyl)amino]phenyl]benzylidene]cyclohexa-2,5-dien-1-ylidene](sulphonatobenzyl)ammonium

inchi:
InChI=1/C37H36N2O6S2.H2/c1-3-38(26-31-14-8-10-16-35(31)46(40,41)42)33-22-18-29(19-23-33)37(28-12-6-5-7-13-28)30-20-24-34(25-21-30)39(4-2)27-32-15-9-11-17-36(32)47(43,44)45;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);1H/q;+1/p-1

smiles:
[H+].O=S(=O)([O-])C=1C=CC=CC1CN(C2=CC=C(C=C2)C(C=3C=CC=CC3)=C4C=CC(C=C4)=[N+](CC=5C=CC=CC5S(=O)(=O)[O-])CC)CC


name: 2'-[benzyl(cyclohexyl)amino]-6'-(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 85327-13-5
dtxsid: DTXSID60888664
formula: C37H38N2O3
inchikey: MEMPWOSQQAPWBU-UHFFFAOYSA-N
norman_susdat_id: NS00063932
pubchem_cid: 174447
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)N(CC=5C=CC=CC5)C6CCCCC6)N(CC)CC)C=7C=CC=CC17
inchi:
InChI=1/C37H38N2O3/c1-3-38(4-2)28-19-21-32-35(24-28)41-34-22-20-29(23-33(34)37(32)31-18-12-11-17-30(31)36(40)42-37)39(27-15-9-6-10-16-27)25-26-13-7-5-8-14-26/h5,7-8,11-14,17-24,27H,3-4,6,9-10,15-16,25H2,1-2H3


name: (phenylmethyl)-4-[(phenylmethyl)phenyl]phenol
cas: 85338-47-2
dtxsid: DTXSID801005813
formula: C26H22O
inchikey: FMUWLBYSIFCENA-UHFFFAOYSA-N
norman_susdat_id: NS00063634
pubchem_cid: 3020611
smiles: OC1=CC=C(C=C1CC=2C=CC=CC2)C=3C=CC=CC3CC=4C=CC=CC4
inchi:
InChI=1/C26H22O/c27-26-16-15-23(19-24(26)18-21-11-5-2-6-12-21)25-14-8-7-13-22(25)17-20-9-3-1-4-10-20/h1-16,19,27H,17-18H2


name: 2,2'-isopropylidenebis[4-(3,5,5-trimethylhexyl)phenol]
cas: 85371-53-5
dtxsid: DTXSID901005830
formula: C33H52O2
inchikey: AEDJBDRIBQPIFS-UHFFFAOYSA-N
norman_susdat_id: NS00063972
pubchem_cid: 44144871
smiles: OC1=CC=C(C=C1C(C2=CC(=CC=C2O)CCC(C)CC(C)(C)C)(C)C)CCC(C)CC(C)(C)C
inchi:
InChI=1/C33H52O2/c1-23(21-31(3,4)5)11-13-25-15-17-29(34)27(19-25)33(9,10)28-20-26(16-18-30(28)35)14-12-24(2)22-32(6,7)8/h15-20,23-24,34-35H,11-14,21-22H2,1-10H3


name: Trisodium dichloroanthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15-triyl tris(sulphate)
cas: 85371-60-4
dtxsid: DTXSID001005833
formula: C31H15Cl2NO12S3
inchikey: AQPOBELCHWQSKM-UHFFFAOYSA-K
norman_susdat_id: NS00063397
pubchem_cid: 57354580
inchi:
InChI=1/C31H15Cl2NO12S3.3Na/c32-21-11-9-19-24(27(21)33)17-10-12-22-25-13(5-7-18(23(17)25)30(19)45-48(38,39)40)14-6-8-20-26(28(14)34-22)31(46-49(41,42)43)16-4-2-1-3-15(16)29(20)44-47(35,36)37;;;/h1-12H,(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])OC1=C2C=CC=CC2=C(OS(=O)(=O)[O-])C=3C=4N=C5C=CC6=C7C(Cl)=C(Cl)C=CC7=C(OS(=O)(=O)[O-])C8=CC=C(C4C=CC13)C5=C86


name: ((1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)-N-(3-ethoxypropyl)benzenesulphonamide
cas: 85371-62-6
chemspiderid: 2287455
dtxsid: DTXSID00234545
formula: C25H24N2O7S1
inchikey: MIBXLMGAMBLBNB-UHFFFAOYSA-N
norman_susdat_id: NS00038886
pubchem_cid: 44153352
smiles: CCOCCCNS(=O)(=O)c1c(Oc2c(N)c3c(c(O)c2)C(=O)c2c(cccc2)C3=O)cccc1
inchi:
InChI=1S/C25H24N2O7S/c1-2-33-13-7-12-27-35(31,32)20-11-6-5-10-18(20)34-19-14-17(28)21-22(23(19)26)25(30)16-9-4-3-8-15(16)24(21)29/h3-6,8-11,14,27-28H,2,7,12-13,26H2,1H3


name: 5-Benzoyluridine
cas: 85372-91-4
chemspiderid: 18928569
dtxsid: DTXSID60234546
formula: C16H16N2O7
inchikey: ANFJQBUYDIHRPP-BPGGGUHBSA-N
norman_susdat_id: NS00038887
pubchem_cid: 13832346
smiles: OCC1OC(C(O)C1O)n1cc(C(=O)c2ccccc2)c(=O)[nH]c1=O
inchi:
InChI=1S/C16H16N2O7/c19-7-10-12(21)13(22)15(25-10)18-6-9(14(23)17-16(18)24)11(20)8-4-2-1-3-5-8/h1-6,10,12-13,15,19,21-22H,7H2,(H,17,23,24)/t10-,12-,13-,15+/m1/s1


name: Androst-5-en-17-one, 3,15-bis(2,2-dimethyl-1-oxopropoxy)-7-hydroxy-, (3ÃŸ,7ÃŸ,15a)-
cas: 85390-94-9
chemspiderid: 24206707
formula: C29H44O6
inchikey: XFMNPFYVWKUVOJ-BMBAEVINSA-N
norman_susdat_id: NS00004140
pubchem_cid: 56617916
inchi:
InChI=1S/C29H44O6/c1-26(2,3)24(32)34-17-9-11-28(7)16(13-17)14-19(30)22-18(28)10-12-29(8)21(31)15-20(23(22)29)35-25(33)27(4,5)6/h14,17-20,22-23,30H,9-13,15H2,1-8H3/t17-,18-,19-,20-,22-,23-,28-,29+/m0/s1

smiles:
CC(C)(C)C(=O)O[C@H]1CC(=O)[C@@]2(C)CC[C@H]3[C@H]([C@H]12)[C@@H](O)C=C1C[C@H](CC[C@]31C)OC(=O)C(C)(C)C


name: 3',6'-Dibutoxyspiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
cas: 85391-01-1
chemspiderid: 21164857
dtxsid: DTXSID50234555
formula: C28H28O5
inchikey: NISVSXJMPPNUMP-UHFFFAOYSA-N
norman_susdat_id: NS00038889
pubchem_cid: 14323645
smiles: CCCCOc1cc2c(cc1)C1(OC(=O)c3ccccc13)c1c(O2)cc(OCCCC)cc1
inchi:
InChI=1S/C28H28O5/c1-3-5-15-30-19-11-13-23-25(17-19)32-26-18-20(31-16-6-4-2)12-14-24(26)28(23)22-10-8-7-9-21(22)27(29)33-28/h7-14,17-18H,3-6,15-16H2,1-2H3


name: 9-(dibutylamino)spiro[12H-benzo[a]xanthene-12,1'(3'H)-isobenzofuran]-3'-one
cas: 85391-02-2
dtxsid: DTXSID401005847
formula: C32H31NO3
inchikey: PJHKDRUZMMAVQZ-UHFFFAOYSA-N
norman_susdat_id: NS00063973
pubchem_cid: 57354584
smiles: O=C1OC2(C3=CC=C(C=C3OC=4C=CC=5C=CC=CC5C42)N(CCCC)CCCC)C=6C=CC=CC16
inchi:
InChI=1/C32H31NO3/c1-3-5-19-33(20-6-4-2)23-16-17-27-29(21-23)35-28-18-15-22-11-7-8-12-24(22)30(28)32(27)26-14-10-9-13-25(26)31(34)36-32/h7-18,21H,3-6,19-20H2,1-2H3


name: Benzyldimethyl[3-(triethoxysilyl)propyl]ammonium chloride
cas: 85391-03-3
dtxsid: DTXSID101005848
formula: C18H34NO3Si
inchikey: VAMPBYNCRJPDFD-UHFFFAOYSA-M
norman_susdat_id: NS00063399
pubchem_cid: 3020617
smiles: [Cl-].O(CC)[Si](OCC)(OCC)CCC[N+](C)(C)CC=1C=CC=CC1
inchi:
InChI=1/C18H34NO3Si.ClH/c1-6-20-23(21-7-2,22-8-3)16-12-15-19(4,5)17-18-13-10-9-11-14-18;/h9-11,13-14H,6-8,12,15-17H2,1-5H3;1H/q+1;/p-1


cas: 85391-12-4
formula: -
inchikey: BKYWJAIRSZPPFG-KVVVOXFISA-N
norman_susdat_id: NS00092390
smiles: CCCCCCCC\C=C/CCCCCCCC1=NCCN1CCN.CCCCOP(=O)(O)O
name:
Phosphoric acid, butyl ester, compd. with (Z)-2-(8-heptadecenyl)-4,5-dihydro-1H-imidazole-1-ethanamine

inchi:
InChI=1/C22H43N3.C4H11O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23;1-2-3-4-8-9(5,6)7/h9-10H,2-8,11-21,23H2,1H3;2-4H2,1H3,(H2,5,6,7)


name: 1-Tetradecylimidazolidine-2,4-dione
cas: 85391-29-3
chemspiderid: 2287469
dtxsid: DTXSID80234563
formula: C17H32N2O2
inchikey: AESJECFMHVOYGB-UHFFFAOYSA-N
norman_susdat_id: NS00038897
pubchem_cid: 3020629
smiles: CCCCCCCCCCCCCCN1CC(=O)NC1=O
inchi:
InChI=1S/C17H32N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-16(20)18-17(19)21/h2-15H2,1H3,(H,18,20,21)


name: 3,3'-(2-Hydroxypropane-1,3-diyl)bis(2,2,7,7,9,9-hexamethyl-1-oxa-3,8-diazaspiro(4.5)decan-4-one)
cas: 85391-30-6
chemspiderid: 19046126
dtxsid: DTXSID40234564
formula: C29H52N4O5
inchikey: TUSZUQKJNKKTFW-UHFFFAOYSA-N
norman_susdat_id: NS00038898
pubchem_cid: 22094156
smiles: CC1(C)OC2(CC(C)(C)NC(C)(C)C2)C(=O)N1CC(O)CN1C(=O)C2(CC(C)(C)NC(C)(C)C2)OC1(C)C
inchi:
InChI=1S/C29H52N4O5/c1-22(2)15-28(16-23(3,4)30-22)20(35)32(26(9,10)37-28)13-19(34)14-33-21(36)29(38-27(33,11)12)17-24(5,6)31-25(7,8)18-29/h19,30-31,34H,13-18H2,1-12H3


cas: 85391-36-2
dtxsid: DTXSID00234565
formula: C40H48N4O2
inchikey: PGSZJTUZLPAWBG-UHFFFAOYSA-N
norman_susdat_id: NS00064856
pubchem_cid: 44151699
name:
2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(iminoethylene)]bis(1,3,3-trimethyl-3H-indolium) bis[tetrafluoroborate(1-)]

inchi:
InChI=1/C40H48N4O2.2BF4/c1-39(2)29-13-9-11-15-33(29)43(5)37(39)21-23-41-31-19-17-27(25-35(31)45-7)28-18-20-32(36(26-28)46-8)42-24-22-38-40(3,4)30-14-10-12-16-34(30)44(38)6;2*2-1(3,4)5/h9-20,25-26,41-42H,21-24H2,1-8H3;;/q+2;2*-1

smiles:
F[B-](F)(F)F.F[B-](F)(F)F.O(C1=CC(=CC=C1NCCC2=[N+](C=3C=CC=CC3C2(C)C)C)C=4C=CC(NCCC5=[N+](C=6C=CC=CC6C5(C)C)C)=C(OC)C4)C


cas: 85391-37-3
formula: C42H22N2O24S6
inchikey: OCUHCNSJMXGBTL-UHFFFAOYSA-H
norman_susdat_id: NS00063423
pubchem_cid: 119057897
name:
Hexapotassium 7,14-dihydronaphth(2',3':5,6]indolo[2,3-c]dinaphtho[2,3-a:2',3'-h]carbazole-5,8,13,16,21,24-hexyl hexasulphate

inchi:
InChI=1/C42H22N2O24S6.6K/c45-69(46,47)63-37-17-7-1-3-9-19(17)39(65-71(51,52)53)25-15-29-27(13-23(25)37)31-32-28-14-24-26(40(66-72(54,55)56)20-10-4-2-8-18(20)38(24)64-70(48,49)50)16-30(28)44-36(32)34-33(35(31)43-29)41(67-73(57,58)59)21-11-5-6-12-22(21)42(34)68-74(60,61)62;;;;;;/h1-16H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].O=S(=O)([O-])OC=1C=2C=CC=CC2C(OS(=O)(=O)[O-])=C3C=C4C(N=C5C=6C(OS(=O)(=O)[O-])=C7C=CC=CC7=C(OS(=O)(=O)[O-])C6C8=NC=9C=C%10C(OS(=O)(=O)[O-])=C%11C=CC=CC%11=C(OS(=O)(=O)[O-])C%10=CC9C8=C54)=CC13


cas: 85391-38-4
formula: C42H24N2O24S6.6K
inchikey: WFUNJGWNDUCIJB-UHFFFAOYSA-H
norman_susdat_id: NS00091659
name:
Hexapotassium 6,18-dihydrodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24-hexyl hexasulphate

inchi:
InChI=1/C42H22N2O24S6.6K/c45-69(46,47)63-37-21-5-1-3-7-23(21)39(65-71(51,52)53)29-25(37)13-9-17-19-11-15-27-31(35(19)43-33(17)29)41(67-73(57,58)59)28-16-12-20-18-10-14-26-30(34(18)44-36(20)32(28)42(27)68-74(60,61)62)40(66-72(54,55)56)24-8-4-2-6-22(24)38(26)64-70(48,49)50;;;;;;/h1-16H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6

smiles:
[K+].[K+].[K+].[K+].[K+].[K+].[O-]S(=O)(=O)OC1=C2C(=CC=C3C2=Nc4c3ccc5c(OS(=O)(=O)[O-])c6ccccc6c(OS(=O)(=O)[O-])c45)C(=C7C1=CC=C8C7=Nc9c8ccc%10c(OS(=O)(=O)[O-])c%11ccccc%11c(OS(=O)(=O)[O-])c9%10)OS(=O)(=O)[O-]


name: Dipotassium 5-bromo-2-(9-chloro-3-(sulphonatooxy)naphtho(1,2-b)thien-2-yl)-1H-indol-3-yl sulphate
cas: 85391-39-5
chemspiderid: 21164868
dtxsid: DTXSID60234566
formula: C20H11Br1Cl1N1O8S3
inchikey: SFUBJXMYKCHUTF-UHFFFAOYSA-L
norman_susdat_id: NS00038899
pubchem_cid: 44147297
smiles: [K+].[K+].[O-]S(=O)(=O)Oc1c([nH]c2c1cc(Br)cc2)c1c(OS(=O)(=O)[O-])c2c(s1)c1c(cccc1Cl)cc2
inchi:
InChI=1S/C20H11BrClNO8S3/c21-10-5-7-14-12(8-10)17(30-33(24,25)26)16(23-14)20-18(31-34(27,28)29)11-6-4-9-2-1-3-13(22)15(9)19(11)32-20/h1-8,23H,(H,24,25,26)(H,27,28,29)


name: Dipotassium 16,17-dimethoxyanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-diyl bis(sulphate)
cas: 85391-40-8
formula: C36H22O10S2.2K
inchikey: CFVXMXZGZYHLRH-UHFFFAOYSA-L
norman_susdat_id: NS00091934
inchi:
InChI=1/C36H22O10S2.2K/c1-43-27-15-25-17-7-3-5-9-21(17)35(45-47(37,38)39)23-13-11-19-20-12-14-24-30-26(18-8-4-6-10-22(18)36(24)46-48(40,41)42)16-28(44-2)34(32(20)30)33(27)31(19)29(23)25;;/h3-16H,1-2H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[K+].[K+].COc1cc2c3ccccc3c(OS(=O)(=O)[O-])c4ccc5c6ccc7c(OS(=O)(=O)[O-])c8ccccc8c9cc(OC)c(c1c5c24)c6c79


cas: 85391-41-9
formula: C23H19N5O7S2.2Na
inchikey: WDRZJESZAYBJMR-UHFFFAOYSA-L
norman_susdat_id: NS00091754
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2C)N=Nc4c(cc3cc(N)ccc3c4O)S([O-])(=O)=O
name:
Disodium 7-amino-4-hydroxy-3-[[3-methyl-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C23H19N5O7S2.2Na/c1-13-10-17(5-9-20(13)27-25-16-3-6-18(7-4-16)36(30,31)32)26-28-22-21(37(33,34)35)12-14-11-15(24)2-8-19(14)23(22)29;;/h2-12,29H,24H2,1H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2


cas: 85391-42-0
formula: C34H24ClN9O16S3
inchikey: BRWNZTIAGONBGF-UHFFFAOYSA-K
norman_susdat_id: NS00063424
pubchem_cid: 135854076
name:
Trisodium 3-[(2-chloro-4-nitrophenyl)azo]-5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C34H22ClN9O16S3.3Na/c35-22-11-19(43(48)49)5-7-23(22)38-42-33-31(63(58,59)60)10-16-9-21(61(52,53)54)13-27(32(16)34(33)47)41-40-26-14-25(28(45)15-29(26)46)39-37-18-3-1-17(2-4-18)36-24-8-6-20(44(50)51)12-30(24)62(55,56)57;;;/h1-15,36,45-47H,(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(O)=C3C(N=NC4=CC(N=NC5=CC=C(C=C5)NC6=CC=C(C=C6S(=O)(=O)[O-])[N+](=O)[O-])=C(O)C=C4O)=CC(=CC3=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C(Cl)=C1


cas: 85391-43-1
formula: C40H29ClN10O13S2
inchikey: KGTREPLFAIMGCS-UHFFFAOYSA-L
norman_susdat_id: NS00064017
pubchem_cid: 16132037
name:
Disodium 3-[(2-chloro-4-nitrophenyl)azo]-4-hydroxy-7-[[2-hydroxy-4-[[3-hydroxy-4-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]amino]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C40H27ClN10O13S2.2Na/c41-30-19-27(50(55)56)8-13-31(30)46-49-39-38(66(62,63)64)16-21-15-26(5-10-29(21)40(39)54)45-48-33-12-7-25(18-36(33)53)42-24-6-11-32(35(52)17-24)47-44-23-3-1-22(2-4-23)43-34-14-9-28(51(57)58)20-37(34)65(59,60)61;;/h1-20,42-43,52-54H,(H,59,60,61)(H,62,63,64);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(O)=C3C=CC(N=NC4=CC=C(C=C4O)NC5=CC=C(N=NC6=CC=C(C=C6)NC7=CC=C(C=C7S(=O)(=O)[O-])[N+](=O)[O-])C(O)=C5)=CC3=CC2S(=O)(=O)[O-])C(Cl)=C1


name: Decyl 2-ethylhexyl phthalate
cas: 85391-46-4
dtxsid: DTXSID801005863
formula: C26H42O4
inchikey: GMMDKTJONHGTSN-UHFFFAOYSA-N
norman_susdat_id: NS00064018
pubchem_cid: 3020636
smiles: O=C(OCCCCCCCCCC)C=1C=CC=CC1C(=O)OCC(CC)CCCC
inchi:
InChI=1/C26H42O4/c1-4-7-9-10-11-12-13-16-20-29-25(27)23-18-14-15-19-24(23)26(28)30-21-22(6-3)17-8-5-2/h14-15,18-19,22H,4-13,16-17,20-21H2,1-3H3


name: 2-ethylhexyl undecyl phthalate
cas: 85391-47-5
dtxsid: DTXSID501005864
formula: C27H44O4
inchikey: JCLYNTWIDKAJSK-UHFFFAOYSA-N
norman_susdat_id: NS00064858
pubchem_cid: 3020637
smiles: O=C(OCCCCCCCCCCC)C=1C=CC=CC1C(=O)OCC(CC)CCCC
inchi:
InChI=1/C27H44O4/c1-4-7-9-10-11-12-13-14-17-21-30-26(28)24-19-15-16-20-25(24)27(29)31-22-23(6-3)18-8-5-2/h15-16,19-20,23H,4-14,17-18,21-22H2,1-3H3


name: Bis(2,5-dimethylheptyl) phthalate
cas: 85391-48-6
dtxsid: DTXSID201005865
formula: C26H42O4
inchikey: ABJMNVCTWJQTJZ-UHFFFAOYSA-N
norman_susdat_id: NS00064859
pubchem_cid: 3020638
smiles: O=C(OCC(C)CCC(C)CC)C=1C=CC=CC1C(=O)OCC(C)CCC(C)CC
inchi:
InChI=1/C26H42O4/c1-7-19(3)13-15-21(5)17-29-25(27)23-11-9-10-12-24(23)26(28)30-18-22(6)16-14-20(4)8-2/h9-12,19-22H,7-8,13-18H2,1-6H3


name: Bis(6-methyloctyl) phthalate
cas: 85391-49-7
dtxsid: DTXSID1058684
formula: C26H42O4
inchikey: FEDPFYJRECQFHW-UHFFFAOYSA-N
norman_susdat_id: NS00064040
pubchem_cid: 3020639
smiles: O=C(OCCCCCC(C)CC)C=1C=CC=CC1C(=O)OCCCCCC(C)CC
inchi:
InChI=1/C26H42O4/c1-5-21(3)15-9-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-10-16-22(4)6-2/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3


name: Bis(4-methyloctyl) phthalate
cas: 85391-50-0
dtxsid: DTXSID901005866
formula: C26H42O4
inchikey: YWWKENIVKIAFNQ-UHFFFAOYSA-N
norman_susdat_id: NS00064041
pubchem_cid: 3020640
smiles: O=C(OCCCC(C)CCCC)C=1C=CC=CC1C(=O)OCCCC(C)CCCC
inchi:
InChI=1/C26H42O4/c1-5-7-13-21(3)15-11-19-29-25(27)23-17-9-10-18-24(23)26(28)30-20-12-16-22(4)14-8-6-2/h9-10,17-18,21-22H,5-8,11-16,19-20H2,1-4H3


name: Bis(3-ethylheptyl) phthalate
cas: 85391-51-1
dtxsid: DTXSID601005867
formula: C26H42O4
inchikey: XSPGRWHRTBCXRG-UHFFFAOYSA-N
norman_susdat_id: NS00064042
pubchem_cid: 3020641
smiles: O=C(OCCC(CC)CCCC)C=1C=CC=CC1C(=O)OCCC(CC)CCCC
inchi:
InChI=1/C26H42O4/c1-5-9-13-21(7-3)17-19-29-25(27)23-15-11-12-16-24(23)26(28)30-20-18-22(8-4)14-10-6-2/h11-12,15-16,21-22H,5-10,13-14,17-20H2,1-4H3


name: 2,5-dimethylheptyl nonyl phthalate
cas: 85391-52-2
dtxsid: DTXSID301005868
formula: C26H42O4
inchikey: NTBVTZQYXKJYNJ-UHFFFAOYSA-N
norman_susdat_id: NS00064888
pubchem_cid: 3020642
smiles: O=C(OCCCCCCCCC)C=1C=CC=CC1C(=O)OCC(C)CCC(C)CC
inchi:
InChI=1/C26H42O4/c1-5-7-8-9-10-11-14-19-29-25(27)23-15-12-13-16-24(23)26(28)30-20-22(4)18-17-21(3)6-2/h12-13,15-16,21-22H,5-11,14,17-20H2,1-4H3


name: 4-methyloctyl nonyl phthalate
cas: 85391-53-3
dtxsid: DTXSID001005869
formula: C26H42O4
inchikey: ASCIIAYCECQQJU-UHFFFAOYSA-N
norman_susdat_id: NS00063463
pubchem_cid: 3020643
smiles: O=C(OCCCCCCCCC)C=1C=CC=CC1C(=O)OCCCC(C)CCCC
inchi:
InChI=1/C26H42O4/c1-4-6-8-9-10-11-14-20-29-25(27)23-18-12-13-19-24(23)26(28)30-21-15-17-22(3)16-7-5-2/h12-13,18-19,22H,4-11,14-17,20-21H2,1-3H3


name: 6-methyloctyl nonyl phthalate
cas: 85391-54-4
dtxsid: DTXSID301005870
formula: C26H42O4
inchikey: IQEHDTICMJAPEW-UHFFFAOYSA-N
norman_susdat_id: NS00063464
pubchem_cid: 3020644
smiles: O=C(OCCCCCCCCC)C=1C=CC=CC1C(=O)OCCCCCC(C)CC
inchi:
InChI=1/C26H42O4/c1-4-6-7-8-9-10-15-20-29-25(27)23-18-13-14-19-24(23)26(28)30-21-16-11-12-17-22(3)5-2/h13-14,18-19,22H,4-12,15-17,20-21H2,1-3H3


name: Barium bis[2-[(2-hydroxy-1-naphthyl)azo]-5-methoxybenzenesulphonate]
cas: 85391-55-5
formula: C17H14N2O5S
inchikey: WOKBFZQJLJEXBU-UHFFFAOYSA-L
norman_susdat_id: NS00063655
pubchem_cid: NA
inchi:
InChI=1/2C17H14N2O5S.Ba/c2*1-24-12-7-8-14(16(10-12)25(21,22)23)18-19-17-13-5-3-2-4-11(13)6-9-15(17)20;/h2*2-10,20H,1H3,(H,21,22,23);/q;;+2/p-2

smiles:
[Ba+2].O=S(=O)([O-])C1=CC(OC)=CC=C1N=NC2=C(O)C=CC=3C=CC=CC32.O=S(=O)([O-])C1=CC(OC)=CC=C1N=NC2=C(O)C=CC=3C=CC=CC32


name: 2,2'-(1,4-phenylene)bis[4-[(4-chlorophenyl)methylene]oxazol-5(4H)-one]
cas: 85391-56-6
formula: C26H14Cl2N2O4
inchikey: NKZVURJGEMOKSH-UHFFFAOYSA-N
norman_susdat_id: NS00064043
pubchem_cid: 57354595
smiles: O=C1OC(=NC1=CC2=CC=C(Cl)C=C2)C=3C=CC(=CC3)C4=NC(=CC5=CC=C(Cl)C=C5)C(=O)O4
inchi:
InChI=1/C26H14Cl2N2O4/c27-19-9-1-15(2-10-19)13-21-25(31)33-23(29-21)17-5-7-18(8-6-17)24-30-22(26(32)34-24)14-16-3-11-20(28)12-4-16/h1-14H


name: 2-[[4-[(2-bromoallyl)(2-hydroxyethyl)amino]phenyl]azo]-5-nitrobenzonitrile
cas: 85391-57-7
formula: C18H17BrN5O3
inchikey: GMDXUESJQCRDNZ-UHFFFAOYSA-N
norman_susdat_id: NS00063465
pubchem_cid: 3020645
smiles: N#CC1=CC(=CC=C1N=NC2=CC=C(C=C2)N(CC(Br)=C)CCO)[N+](=O)[O-]
inchi:
InChI=1/C18H16BrN5O3/c1-13(19)12-23(8-9-25)16-4-2-15(3-5-16)21-22-18-7-6-17(24(26)27)10-14(18)11-20/h2-7,10,25H,1,8-9,12H2


name: 3,5',6'-tris(dimethylamino)spiro[9H-fluorene-9,1'(3'H)-isobenzofuran]-3'-one
cas: 85391-59-9
formula: C26H27N3O2
inchikey: OBOJLOMUIRJNRR-UHFFFAOYSA-N
norman_susdat_id: NS00064889
pubchem_cid: 92030246
smiles: O=C1OC2(C=3C=CC=CC3C4=CC(=CC=C42)N(C)C)C=5C=C(C(=CC15)N(C)C)N(C)C
inchi:
InChI=1/C26H27N3O2/c1-27(2)16-11-12-21-18(13-16)17-9-7-8-10-20(17)26(21)22-15-24(29(5)6)23(28(3)4)14-19(22)25(30)31-26/h7-15H,1-6H3


name: 2,6-bis[(2-methylphenyl)methylene]cyclohexan-1-one
cas: 85391-70-4
formula: C22H22O
inchikey: UTIHSBHVGKPGEM-UHFFFAOYSA-N
norman_susdat_id: NS00063466
pubchem_cid: 3020653
smiles: O=C1C(=CC=2C=CC=CC2C)CCCC1=CC=3C=CC=CC3C
inchi:
InChI=1/C22H22O/c1-16-8-3-5-10-18(16)14-20-12-7-13-21(22(20)23)15-19-11-6-4-9-17(19)2/h3-6,8-11,14-15H,7,12-13H2,1-2H3


name: 17ß-(cyclopentyloxy)estra-1,3,5(10)-trien-3-ol
cas: 85391-72-6
dtxsid: DTXSID001005871
formula: C23H32O2
inchikey: WKZKZQHUIXPPDM-VROINQGHSA-N
norman_susdat_id: NS00063467
pubchem_cid: 44152131
smiles: OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(OC5CCCC5)CCC34
inchi:
InChI=1/C23H32O2/c1-23-13-12-19-18-9-7-16(24)14-15(18)6-8-20(19)21(23)10-11-22(23)25-17-4-2-3-5-17/h7,9,14,17,19-22,24H,2-6,8,10-13H2,1H3


name: 16a-ethyl-21-hydroxy-19-norpregna-4,9-diene-3,20-dione laurate
cas: 85391-73-7
dtxsid: DTXSID701005872
formula: C34H52O4
inchikey: YKMPUMBCRKUJRK-ODMVDYRZSA-N
norman_susdat_id: NS00063468
pubchem_cid: 44154202
smiles: O=C(OCC(=O)C1C(CC)CC2C3C(=C4C(=CC(=O)CC4)CC3)CCC12C)CCCCCCCCCCC
inchi:
InChI=1/C34H52O4/c1-4-6-7-8-9-10-11-12-13-14-32(37)38-23-31(36)33-24(5-2)22-30-29-17-15-25-21-26(35)16-18-27(25)28(29)19-20-34(30,33)3/h21,24,29-30,33H,4-20,22-23H2,1-3H3


name: (-)-1,3,4,14b-tetrahydro-2,7-dimethyl-2H-dibenzo[b,f]pyrazino[1,2-d][1,4]oxazepine maleate
cas: 85391-75-9
formula: C18H20N2O.C4H4O4
inchikey: AWRICOJVWDPBQF-BTJKTKAUSA-N
norman_susdat_id: NS00091944
smiles: CN1CCN2C(C1)c3ccccc3Oc4ccc(C)cc24.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C18H20N2O.C4H4O4/c1-13-7-8-18-15(11-13)20-10-9-19(2)12-16(20)14-5-3-4-6-17(14)21-18;5-3(6)1-2-4(7)8/h3-8,11,16H,9-10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)


name: dibutylbis(octadeca-9(Z),12(Z)-dienoyloxy)stannane
cas: 85391-79-3
dtxsid: DTXSID60872508
formula: C44H80O4Sn
inchikey: PWHAJUKSOHXUMK-ZHEBOFABSA-L
norman_susdat_id: NS00113341
smiles: CCCCCC=C/CC=C/CCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCC=C/CC=C/CCCCC
inchi:
InChI=1S/2C18H32O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-4-2;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*7-6-,10-9-;;;


cas: 85391-81-7
formula: C40H80O4S4Sn2
inchikey: WSTLEEBNBWQQCG-UHFFFAOYSA-J
norman_susdat_id: NS00064890
pubchem_cid: 44153876
smiles: O=C1O[Sn](SCCCCCCCCCCCC)(S[Sn](OC(=O)C(SCC)CCC1)(SCCCCCCCCCCCC)CCCC)CCCC
name:
2,4-dibutyl-2,4-bis(dodecylthio)-7-(ethylthio)-1,5-dioxa-3-thia-2,4-distannacycloundecane-6,11-dione

inchi:
InChI=1/2C12H26S.C8H14O4S.2C4H9.S.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;1-2-13-6(8(11)12)4-3-5-7(9)10;2*1-3-4-2;;;/h2*13H,2-12H2,1H3;6H,2-5H2,1H3,(H,9,10)(H,11,12);2*1,3-4H2,2H3;;;/q;;;;;;2*+2/p-4/rC40H80O4S4Sn2/c1-6-11-15-17-19-21-23-25-27-29-34-46-49(36-13-8-3)43-39(41)33-31-32-38(45-10-5)40(42)44-50(48-49,37-14-9-4)47-35-30-28-26-24-22-20-18-16-12-7-2/h38H,6-37H2,1-5H3


name: Methyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate
cas: 85391-82-8
chemspiderid: 2287491
dtxsid: DTXSID70234577
formula: C13H18Cl1N3O2
inchikey: CNBDZKABFKMZQQ-UHFFFAOYSA-N
norman_susdat_id: NS00038910
pubchem_cid: 3020655
smiles: COC(=O)N1CCC(CC1)Nc1c(N)cc(Cl)cc1
inchi:
InChI=1S/C13H18ClN3O2/c1-19-13(18)17-6-4-10(5-7-17)16-12-3-2-9(14)8-11(12)15/h2-3,8,10,16H,4-7,15H2,1H3


name: 2-(((2-Methyl-1-oxoallyl)oxy)methyl)-2-propyl-1,3-propanediyl bismethacrylate
cas: 85391-84-0
chemspiderid: 15261263
dtxsid: DTXSID30234578
formula: C19H28O6
inchikey: ZZYZXHWVEYEDLH-UHFFFAOYSA-N
norman_susdat_id: NS00038911
pubchem_cid: 23338104
smiles: CCCC(COC(=O)C(=C)C)(COC(=O)C(=C)C)COC(=O)C(=C)C
inchi:
InChI=1S/C19H28O6/c1-8-9-19(10-23-16(20)13(2)3,11-24-17(21)14(4)5)12-25-18(22)15(6)7/h2,4,6,8-12H2,1,3,5,7H3


name: Trisodium 1,3,5-triazine-2,4,6-trisulphonate
cas: 85391-96-4
dtxsid: DTXSID20234582
formula: C3H3N3O9S3
inchikey: PTWBWTHLDIERJK-UHFFFAOYSA-K
norman_susdat_id: NS00063527
pubchem_cid: 11970931
smiles: [Na+].[Na+].[Na+].O=S(=O)([O-])C=1N=C(N=C(N1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C3H3N3O9S3.3Na/c7-16(8,9)1-4-2(17(10,11)12)6-3(5-1)18(13,14)15;;;/h(H,7,8,9)(H,10,11,12)(H,13,14,15);;;/q;3*+1/p-3


name: 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonic acid
cas: 85391-99-7
dtxsid: DTXSID40234584
formula: C21H20N2O6
inchikey: NVXJPXIZOAASQU-UHFFFAOYSA-N
norman_susdat_id: NS00064925
pubchem_cid: 44145708
smiles: O=C(O)C(NC(=O)C)(C(=O)O)CC1=CNC=2C=CC(OCC=3C=CC=CC3)=CC21
inchi:
InChI=1/C21H20N2O6/c1-13(24)23-21(19(25)26,20(27)28)10-15-11-22-18-8-7-16(9-17(15)18)29-12-14-5-3-2-4-6-14/h2-9,11,22H,10,12H2,1H3,(H,23,24)(H,25,26)(H,27,28)


name: 1-butyl-5-carboxypentyl 5-decenoate
cas: 85392-05-8
dtxsid: DTXSID20888665
formula: C20H36O4
inchikey: OKPRNPZBHHJXBQ-UHFFFAOYSA-N
norman_susdat_id: NS00064926
pubchem_cid: 174453
smiles: O=C(O)CCCCC(OC(=O)CCCC=CCCCC)CCCC
inchi:
InChI=1/C20H36O4/c1-3-5-7-8-9-10-11-17-20(23)24-18(14-6-4-2)15-12-13-16-19(21)22/h8-9,18H,3-7,10-17H2,1-2H3,(H,21,22)


name: 1-butyl-5-carboxypentyl 6-decenoate
cas: 85392-06-9
dtxsid: DTXSID80888666
formula: C20H36O4
inchikey: BAGORNXZZUTBGV-UHFFFAOYSA-N
norman_susdat_id: NS00064081
pubchem_cid: 174454
smiles: O=C(O)CCCCC(OC(=O)CCCCC=CCCC)CCCC
inchi:
InChI=1/C20H36O4/c1-3-5-7-8-9-10-11-17-20(23)24-18(14-6-4-2)15-12-13-16-19(21)22/h7-8,18H,3-6,9-17H2,1-2H3,(H,21,22)


name: 2,2'-Methylenebis(6-(o-isocyanatobenzyl)phenyl) diisocyanate
cas: 85392-14-9
chemspiderid: 117817
dtxsid: DTXSID40234589
formula: C31H20N4O4
inchikey: BYABUGFHWIOBQQ-UHFFFAOYSA-N
norman_susdat_id: NS00038918
pubchem_cid: 163456
smiles: O=C=Nc1ccccc1Cc1c(N=C=O)c(Cc2cccc(Cc3ccccc3N=C=O)c2N=C=O)ccc1
inchi:
InChI=1S/C31H20N4O4/c36-18-32-28-13-3-1-7-22(28)15-24-9-5-11-26(30(24)34-20-38)17-27-12-6-10-25(31(27)35-21-39)16-23-8-2-4-14-29(23)33-19-37/h1-14H,15-17H2


cas: 85392-15-0
formula: C28H25Cl2N7O2S
inchikey: OGZYKGDEWBLSPP-UHFFFAOYSA-N
norman_susdat_id: NS00064928
pubchem_cid: 3020664
smiles: N#CC1=CC(Cl)=C(N=NC2=CC(OC)=C(N=NC=3SC(=NC3C=4C=CC=CC4)N(CC)CC)C=C2OC)C(Cl)=C1
name:
3,5-dichloro-4-[[4-[[2-(diethylamino)-4-phenylthiazol-5-yl]azo]-2,5-dimethoxyphenyl]azo]benzonitrile

inchi:
InChI=1/C28H25Cl2N7O2S/c1-5-37(6-2)28-32-25(18-10-8-7-9-11-18)27(40-28)36-34-22-15-23(38-3)21(14-24(22)39-4)33-35-26-19(29)12-17(16-31)13-20(26)30/h7-15H,5-6H2,1-4H3


name: 1-amino-4-hydroxy-2-(3-hydroxy-1-methylpropoxy)anthraquinone
cas: 85392-16-1
dtxsid: DTXSID901005880
formula: C18H17NO5
inchikey: FFBROZXPFIYGRX-UHFFFAOYSA-N
norman_susdat_id: NS00063699
pubchem_cid: 16205613
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(N)C(OC(C)CCO)=CC(O)=C13
inchi:
InChI=1/C18H17NO5/c1-9(6-7-20)24-13-8-12(21)14-15(16(13)19)18(23)11-5-3-2-4-10(11)17(14)22/h2-5,8-9,20-21H,6-7,19H2,1H3


name: 2-[ethyl[3-methyl-4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]ethanol
cas: 85392-17-2
formula: C18H20N5O3S
inchikey: CEYYUMLIVMNONK-UHFFFAOYSA-N
norman_susdat_id: NS00064929
pubchem_cid: 16205614
smiles: O=[N+]([O-])C=1C=CC2=NSC(N=NC3=CC=C(C=C3C)N(CC)CCO)=C2C1
inchi:
InChI=1/C18H19N5O3S/c1-3-22(8-9-24)13-4-6-16(12(2)10-13)19-20-18-15-11-14(23(25)26)5-7-17(15)21-27-18/h4-7,10-11,24H,3,8-9H2,1-2H3


name: [2-[(2-hydroxyethyl)[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)azo]phenyl]amino]ethyl] acetate
cas: 85392-19-4
formula: C20H21N5O3S
inchikey: SSYUIPJGDIXZQB-UHFFFAOYSA-N
norman_susdat_id: NS00064930
pubchem_cid: 11970933
smiles: O=C(OCCN(C1=CC=C(N=NC2=NN=C(S2)C=3C=CC=CC3)C=C1)CCO)C
inchi:
InChI=1/C20H21N5O3S/c1-15(27)28-14-12-25(11-13-26)18-9-7-17(8-10-18)21-23-20-24-22-19(29-20)16-5-3-2-4-6-16/h2-10,26H,11-14H2,1H3


cas: 85392-20-7
formula: C39H47N9O5
inchikey: VJRANDUCFPZSRP-UHFFFAOYSA-N
norman_susdat_id: NS00063700
pubchem_cid: 3020665
smiles: N#CC1=C(N=C(NCCOC)C(N=NC2=CC(=C(N=NC3=CC=C(C=C3)C(=O)NCCCOCCOC=4C=CC=CC4)C=C2C)C)=C1C)NCCOC
name:
4-[[4-[[5-cyano-2,6-bis[(2-methoxyethyl)amino]-4-methyl-3-pyridyl]azo]-2,5-dimethylphenyl]azo]-N-[3-(2-phenoxyethoxy)propyl]benzamide

inchi:
InChI=1/C39H47N9O5/c1-27-25-35(47-48-36-29(3)33(26-40)37(41-17-20-50-4)44-38(36)42-18-21-51-5)28(2)24-34(27)46-45-31-14-12-30(13-15-31)39(49)43-16-9-19-52-22-23-53-32-10-7-6-8-11-32/h6-8,10-15,24-25H,9,16-23H2,1-5H3,(H,43,49)(H2,41,42,44)


cas: 85392-21-8
chemspiderid: 143395
dtxsid: DTXSID7072917
formula: C27H31Cl1N8O2
inchikey: XBRHSBAEGUSQAN-UHFFFAOYSA-N
norman_susdat_id: NS00038919
pubchem_cid: 163457
smiles: COCCCNc1nc(NCCCOC)c(N=Nc2ccc(cc2Cl)N=Nc2ccccc2)c(C)c1C#N
name:
3-Pyridinecarbonitrile, 5-[[2-chloro-4-(phenylazo)phenyl]azo]-2,6-bis[(3-methoxypropyl)amino]-4-methyl-

inchi:
InChI=1S/C27H31ClN8O2/c1-19-22(18-29)26(30-13-7-15-37-2)32-27(31-14-8-16-38-3)25(19)36-35-24-12-11-21(17-23(24)28)34-33-20-9-5-4-6-10-20/h4-6,9-12,17H,7-8,13-16H2,1-3H3,(H2,30,31,32)/b34-33+,36-35+


cas: 85392-22-9
formula: C28H38N9O4
inchikey: QBQPHOGKJGVMQQ-UHFFFAOYSA-N
norman_susdat_id: NS00063530
pubchem_cid: 11970934
smiles: N#CC1=C(N=C(NCCCC)C(N=NC=2C=CC(=CC2C3=NC(=NO3)CCOCCC)[N+](=O)[O-])=C1C)NCCCC
name:
2,6-bis(butylamino)-4-methyl-5-[[4-nitro-2-[3-(2-propoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]azo]nicotinonitrile

inchi:
InChI=1/C28H37N9O4/c1-5-8-13-30-26-22(18-29)19(4)25(27(33-26)31-14-9-6-2)35-34-23-11-10-20(37(38)39)17-21(23)28-32-24(36-41-28)12-16-40-15-7-3/h10-11,17H,5-9,12-16H2,1-4H3,(H2,30,31,33)


cas: 85392-23-0
chemspiderid: 143396
dtxsid: DTXSID2072918
formula: C25H24N2O6S2
inchikey: GLYMDZLRMMXZRM-UHFFFAOYSA-N
norman_susdat_id: NS00022842
pubchem_cid: 163458
smiles: CCOCCCNS(=O)(=O)c1ccc(Sc2c(N)c3c(c(O)c2)C(=O)c2ccccc2C3=O)cc1
name:
Benzenesulfonamide, 4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)thio]-N-(3-ethoxypropyl)-

inchi:
InChI=1S/C25H24N2O6S2/c1-2-33-13-5-12-27-35(31,32)16-10-8-15(9-11-16)34-20-14-19(28)21-22(23(20)26)25(30)18-7-4-3-6-17(18)24(21)29/h3-4,6-11,14,27-28H,2,5,12-13,26H2,1H3


name: [2-[[4-[(2-chloro-4-nitrophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethylammonium chloride
cas: 85392-24-1
formula: C20H28ClN5O2
inchikey: XSOFBRAWCCIZBB-UHFFFAOYSA-M
norman_susdat_id: NS00064082
pubchem_cid: 21149643
smiles: [Cl-].O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2C)N(CC)CC[N+](C)(C)C)C(Cl)=C1
inchi:
InChI=1/C20H27ClN5O2.ClH/c1-6-24(11-12-26(3,4)5)16-7-9-19(15(2)13-16)22-23-20-10-8-17(25(27)28)14-18(20)21;/h7-10,13-14H,6,11-12H2,1-5H3;1H/q+1;/p-1


name: 4,4'-thiobis[3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol]
cas: 85392-33-2
dtxsid: DTXSID101005886
formula: C20H34O2S
inchikey: VTOLOYGWYKBTJJ-UHFFFAOYSA-N
norman_susdat_id: NS00064085
pubchem_cid: 375777
smiles: OC1(C)CC2C(CC1SC3CC4C(CC3(O)C)C4(C)C)C2(C)C
inchi:
InChI=1/C20H34O2S/c1-17(2)11-7-15(19(5,21)9-13(11)17)23-16-8-12-14(18(12,3)4)10-20(16,6)22/h11-16,21-22H,7-10H2,1-6H3


cas: 85392-59-2
chemspiderid: 32696670
dtxsid: DTXSID7072919
formula: C25H18N6O16S2
inchikey: CSKNPQXSHYOIEH-UHFFFAOYSA-H
norman_susdat_id: NS00020036
pubchem_cid: NA
name:
Iron, [.mu.-[2-(hydroxy-.kappa.O)-3-[[5-[[2-hydroxy-4-(hydroxy-.kappa.O)-5-[[2-(hydroxy-.kappa.O)-3-nitro-5-sulfophenyl]azo-.kappa.N1]phenyl]methyl]-2-(hydroxy-.kappa.O)-4-hydroxyphenyl]azo-.kappa.N1]-5-nitrobenzenesulfonato(6-)]]di-

inchi:
InChI=1S/C25H18N6O16S2/c32-19-8-21(34)14(26-28-16-4-12(30(38)39)5-23(25(16)37)49(45,46)47)2-10(19)1-11-3-15(22(35)9-20(11)33)27-29-17-6-13(48(42,43)44)7-18(24(17)36)31(40)41/h2-9,32-37H,1H2,(H,42,43,44)(H,45,46,47)/b28-26+,29-27+

smiles:
[Fe+++].[Fe+++].Oc1c(Cc2c(O)cc([O-])c(c2)N=Nc2cc(cc(c2[O-])S(=O)(=O)[O-])[N+](=O)[O-])cc(N=Nc2cc(cc(c2[O-])[N+](=O)[O-])S(=O)(=O)[O-])c([O-])c1


name: Hydrogen tetrachloroaurate(1-), compound with 2-amino-1,5-dihydro-1-methyl-4H-imidazol-4-one (1:1)
cas: 85392-64-9
formula: C4H7N3O.AuCl4.H
inchikey: XINFFKTXZHBNFM-UHFFFAOYSA-J
norman_susdat_id: NS00092441
smiles: CN1CC(=O)N=C1N.Cl[Au-](Cl)(Cl)Cl
inchi:
InChI=1/C4H7N3O.Au.4ClH/c1-7-2-3(8)6-4(7)5;;;;;/h2H2,1H3,(H2,5,6,8);;4*1H/q;+3;;;;/p-4/rC4H7N3O.AuCl4/c1-7-2-3(8)6-4(7)5;2-1(3,4)5/h2H2,1H3,(H2,5,6,8);/q;-1


name: 1-ethyl-3-[(2-hydroxynaphthyl)azo]pyridinium tetrachlorozincate (2:1)
cas: 85392-67-2
dtxsid: DTXSID10234596
formula: C17H16N3O
inchikey: XIMCEPPLNUEVSP-UHFFFAOYSA-L
norman_susdat_id: NS00064133
pubchem_cid: NA
inchi:
InChI=1/2C17H15N3O.4ClH.Zn/c2*1-2-20-11-5-7-14(12-20)18-19-17-15-8-4-3-6-13(15)9-10-16(17)21;;;;;/h2*3-12H,2H2,1H3;4*1H;/q;;;;;;+2/p-2/r2C17H15N3O.Cl4Zn/c2*1-2-20-11-5-7-14(12-20)18-19-17-15-8-4-3-6-13(15)9-10-16(17)21;1-5(2,3)4/h2*3-12H,2H2,1H3;/q;;-2/p+2

smiles:
Cl[Zn-2](Cl)(Cl)Cl.OC=1C=CC=2C=CC=CC2C1N=NC3=CC=C[N+](=C3)CC.OC=1C=CC=2C=CC=CC2C1N=NC3=CC=C[N+](=C3)CC


cas: 85392-69-4
formula: C24H35N9O2
inchikey: GQSCKUVIPBOQEV-UHFFFAOYSA-L
norman_susdat_id: NS00064986
pubchem_cid: 118856761
name:
Bis[3,5-bis[[4-[(2-methoxyethyl)methylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium] tetrachlorozincate(2-)

inchi:
InChI=1/2C24H35N9O2.4ClH.Zn/c2*1-30(15-17-34-5)21-11-7-19(8-12-21)25-27-23-29-33(4)24(32(23)3)28-26-20-9-13-22(14-10-20)31(2)16-18-35-6;;;;;/h2*7-14,24H,15-18H2,1-6H3;4*1H;/q;;;;;;+2/p-2/r2C24H35N9O2.Cl4Zn/c2*1-30(15-17-34-5)21-11-7-19(8-12-21)25-27-23-29-33(4)24(32(23)3)28-26-20-9-13-22(14-10-20)31(2)16-18-35-6;1-5(2,3)4/h2*7-14,24H,15-18H2,1-6H3;/q;;-2/p+2

smiles:
Cl[Zn-2](Cl)(Cl)Cl.N(=NC1=CC=C(C=C1)N(C)CCOC)C2=N[NH+](C)C(N=NC3=CC=C(C=C3)N(C)CCOC)N2C.N(=NC1=CC=C(C=C1)N(C)CCOC)C2=N[NH+](C)C(N=NC3=CC=C(C=C3)N(C)CCOC)N2C


name: Bis[1,4-diethyl-5-[(1-ethyl-2-phenyl-1H-indol-3-yl)azo]-1H-1,2,4-triazolium] tetrachlorozincate(2-)
cas: 85392-70-7
dtxsid: DTXSID70234597
formula: C22H26N6
inchikey: BUUDWHMGFBMQLN-UHFFFAOYSA-L
norman_susdat_id: NS00063753
pubchem_cid: 90476781
inchi:
InChI=1/2C22H26N6.4ClH.Zn/c2*1-4-26-16-23-28(6-3)22(26)25-24-20-18-14-10-11-15-19(18)27(5-2)21(20)17-12-8-7-9-13-17;;;;;/h2*7-16,22H,4-6H2,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C22H26N6.Cl4Zn/c2*1-4-26-16-23-28(6-3)22(26)25-24-20-18-14-10-11-15-19(18)27(5-2)21(20)17-12-8-7-9-13-17;1-5(2,3)4/h2*7-16,22H,4-6H2,1-3H3;/q;;-2/p+2

smiles:
Cl[Zn-2](Cl)(Cl)Cl.N(=NC1N(C=N[NH+]1CC)CC)C=2C=3C=CC=CC3N(C2C=4C=CC=CC4)CC.N(=NC1N(C=N[NH+]1CC)CC)C=2C=3C=CC=CC3N(C2C=4C=CC=CC4)CC


name: Bis[3-methyl-2-[[p-(N-methylanilino)phenyl]azo]thiazolium] tetrachlorozincate(2-)
cas: 85392-71-8
formula: C17H17N4S.1/2Cl4Zn
inchikey: PIKOKXRYMAIHNI-UHFFFAOYSA-J
norman_susdat_id: NS00091988
smiles: CN(c1ccccc1)c2ccc(cc2)N=Nc3scc[n+]3C.CN(c4ccccc4)c5ccc(cc5)N=Nc6scc[n+]6C.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C17H17N4S.4ClH.Zn/c2*1-20-12-13-22-17(20)19-18-14-8-10-16(11-9-14)21(2)15-6-4-3-5-7-15;;;;;/h2*3-13H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C17H17N4S.Cl4Zn/c2*1-20-12-13-22-17(20)19-18-14-8-10-16(11-9-14)21(2)15-6-4-3-5-7-15;1-5(2,3)4/h2*3-13H,1-2H3;/q2*+1;-2


cas: 85392-73-0
dtxsid: DTXSID90234599
formula: C19H23ClN6
inchikey: JLDMEHLXNSWZGJ-UHFFFAOYSA-L
norman_susdat_id: NS00064134
pubchem_cid: 90476783
name:
Bis[5-[[4-[[(4-chlorobenzyl)methyl]methylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium] tetrachlorozincate(2-)

inchi:
InChI=1/2C19H23ClN6.4ClH.Zn/c2*1-24(13-12-15-4-6-16(20)7-5-15)18-10-8-17(9-11-18)22-23-19-25(2)14-21-26(19)3;;;;;/h2*4-11,14,19H,12-13H2,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C19H23ClN6.Cl4Zn/c2*1-24(13-12-15-4-6-16(20)7-5-15)18-10-8-17(9-11-18)22-23-19-25(2)14-21-26(19)3;1-5(2,3)4/h2*4-11,14,19H,12-13H2,1-3H3;/q;;-2/p+2

smiles:
ClC1=CC=C(C=C1)CCN(C2=CC=C(N=NC3N(C=N[NH+]3C)C)C=C2)C.ClC1=CC=C(C=C1)CCN(C2=CC=C(N=NC3N(C=N[NH+]3C)C)C=C2)C.Cl[Zn-2](Cl)(Cl)Cl


name: Lead bis(5-oxo-L-prolinate)
cas: 85392-77-4
formula: C5H7NO3.1/2Pb
inchikey: KIOJLQSPGBLUER-SCGRZTRASA-L
norman_susdat_id: NS00092443
smiles: [Pb+2].[O-]C(=O)[C@@H]1CCCN1.[O-]C(=O)[C@H]1NCCC1
inchi:
InChI=1/2C5H9NO2.Pb.2H/c2*7-5(8)4-2-1-3-6-4;;;/h2*4,6H,1-3H2,(H,7,8);;;/q;;+4;;/p-2/r2C5H9NO2.H2Pb/c2*7-5(8)4-2-1-3-6-4;/h2*4,6H,1-3H2,(H,7,8);1H2/q;;+4/p-2


name: Dodecanedioic acid, diisooctyl ester
cas: 85392-86-5
chemspiderid: 11250712
dtxsid: DTXSID2074114
formula: C28H54O4
inchikey: SKVONPNVOSXTBD-UHFFFAOYSA-N
norman_susdat_id: NS00020451
pubchem_cid: 22236712
smiles: CC(C)CCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCC(C)C
inchi:
InChI=1S/C28H54O4/c1-25(2)19-13-11-17-23-31-27(29)21-15-9-7-5-6-8-10-16-22-28(30)32-24-18-12-14-20-26(3)4/h25-26H,5-24H2,1-4H3


cas: 853928-88-8
dtxsid: DTXSID10896234
formula: C19H12F17NO5
inchikey: VRIWOBCDHBKITR-UHFFFAOYSA-N
norman_susdat_id: NS00109401
smiles: COc1cc(C=O)c(cc1OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[N+]([O-])=O
name:
4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)oxy]-5-methoxy-2-nitrobenzaldehyde

inchi:
InChI=1S/C19H12F17NO5/c1-41-10-5-8(7-38)9(37(39)40)6-11(10)42-4-2-3-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h5-7H,2-4H2,1H3


cas: 853929-03-0
dtxsid: DTXSID40896227
formula: C19H14F17NO5
inchikey: QKLWGHXFCGPZDZ-UHFFFAOYSA-N
norman_susdat_id: NS00110432
smiles: COc1cc(CO)c(cc1OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[N+]([O-])=O
name:
{4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)oxy]-5-methoxy-2-nitrophenyl}methanol

inchi:
InChI=1S/C19H14F17NO5/c1-41-10-5-8(7-38)9(37(39)40)6-11(10)42-4-2-3-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h5-6,38H,2-4,7H2,1H3


name: 2-[(3-Methyl-4-nitropyridin-2-yl)methanesulfinyl]-1H-benzimidazole
cas: 853950-77-3
chemspiderid: 23349748
dtxsid: DTXSID90728847
formula: C14H12N4O3S1
inchikey: PSPWSLJRXBXEMQ-JOCHJYFZSA-N
norman_susdat_id: NS00001561
pubchem_cid: 46947529
smiles: Cc1c(C[S@@](=O)c2nc3ccccc3[nH]2)nccc1[N+]([O-])=O
inchi:
InChI=1S/C14H12N4O3S/c1-9-12(15-7-6-13(9)18(19)20)8-22(21)14-16-10-4-2-3-5-11(10)17-14/h2-7H,8H2,1H3,(H,16,17)/t22-/m1/s1


name: N,N-dibutyl-4-fluoro-6-[4-[[4-(phenylazo)-1-naphthyl]azo]phenoxy]-1,3,5-triazin-2-amine
cas: 85401-48-5
formula: C33H33FN8O
inchikey: DTGBAEHGWQQTRQ-UHFFFAOYSA-N
norman_susdat_id: NS00064987
pubchem_cid: 11970935
smiles: FC=1N=C(N=C(N1)N(CCCC)CCCC)OC2=CC=C(N=NC3=CC=C(N=NC=4C=CC=CC4)C=5C=CC=CC35)C=C2
inchi:
InChI=1/C33H33FN8O/c1-3-5-22-42(23-6-4-2)32-35-31(34)36-33(37-32)43-26-18-16-25(17-19-26)39-41-30-21-20-29(27-14-10-11-15-28(27)30)40-38-24-12-8-7-9-13-24/h7-21H,3-6,22-23H2,1-2H3


name: 4-[(2-ethoxyphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-carboxamidine monohydrochloride
cas: 85409-33-2
formula: C13H16N6O2
inchikey: YIRUQQYTHPABHI-UHFFFAOYSA-N
norman_susdat_id: NS00064785
pubchem_cid: 3020679
smiles: Cl.O=C1N(N=C(C)C1N=NC=2C=CC=CC2OCC)C(=N)N
inchi:
InChI=1/C13H16N6O2.ClH/c1-3-21-10-7-5-4-6-9(10)16-17-11-8(2)18-19(12(11)20)13(14)15;/h4-7,11H,3H2,1-2H3,(H3,14,15);1H


cas: 85409-34-3
chemspiderid: 140328
dtxsid: DTXSID90234615
formula: C45H26N2O20S5
inchikey: LOKPUPKFAXKLQF-UHFFFAOYSA-I
norman_susdat_id: NS00038924
pubchem_cid: 159601
name:
Pentapotassium 3-((9,10-bis(sulphonatooxy)-1-anthryl)amino)anthra(2,1,9-mna)naphth(2,3-h)acridine-5,10,15-triyl tris(sulphate)

inchi:
InChI=1S/C45H26N2O20S5/c48-68(49,50)63-41-26-6-1-3-8-28(26)44(66-71(57,58)59)38-30(41)10-5-11-34(38)46-21-12-13-22-23-18-19-35-37-24(14-16-31(36(23)37)43(33(22)20-21)65-70(54,55)56)25-15-17-32-39(40(25)47-35)45(67-72(60,61)62)29-9-4-2-7-27(29)42(32)64-69(51,52)53/h1-20,46H,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)

smiles:
[K+].[K+].[K+].[K+].[K+].[O-]S(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c2c3nc4ccc5c6ccc(Nc7cccc8c7c(OS(=O)(=O)[O-])c7ccccc7c8OS(=O)(=O)[O-])cc6c(OS(=O)(=O)[O-])c6ccc(c3ccc12)c4c56


name: (dicyclopropylmethyl)(4,5-dihydro-2-oxazolyl)ammonium dihydrogen phosphate
cas: 85409-38-7
formula: C10H16N2O.H3O4P
inchikey: ZJCOWRFWZOAVFY-UHFFFAOYSA-L
norman_susdat_id: NS00092282
smiles: [O-]P(=O)([O-])[O-].C1CN=C([NH2+]C(C2CC2)C3CC3)O1
inchi:
InChI=1/C10H16N2O.H3O4P/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10;1-5(2,3)4/h7-9H,1-6H2,(H,11,12);(H3,1,2,3,4)/p-2


cas: 85409-39-8
dtxsid: DTXSID401005904
formula: C19H29N3O4S
inchikey: GXCZNVFOBJDKBQ-UHFFFAOYSA-N
norman_susdat_id: NS00064692
pubchem_cid: 25079306
smiles: Cl.O=C(NCC1N(CC)CC2CCCCC12)C3=CC(=CC=C3OC)S(=O)(=O)N
name:
5-(aminosulphonyl)-N-[(2-ethyloctahydro-1H-isoindol-1-yl)methyl]-2-methoxybenzamide monohydrochloride

inchi:
InChI=1/C19H29N3O4S.ClH/c1-3-22-12-13-6-4-5-7-15(13)17(22)11-21-19(23)16-10-14(27(20,24)25)8-9-18(16)26-2;/h8-10,13,15,17H,3-7,11-12H2,1-2H3,(H,21,23)(H2,20,24,25);1H


name: 3-[3-(methylamino)-3-oxopropyl]-2-[(1-methyl-2-phenyl-1H-indol-3-yl)azo]thiazolium chloride
cas: 85409-40-1
dtxsid: DTXSID101005905
formula: C22H22N5OS
inchikey: WXVUDEALDLWLFM-UHFFFAOYSA-N
norman_susdat_id: NS00064693
pubchem_cid: NA
smiles: [Cl-].O=C(NC)CC[N+]=1C=CSC1N=NC=2C=3C=CC=CC3N(C2C=4C=CC=CC4)C
inchi:
InChI=1/C22H21N5OS.ClH/c1-23-19(28)12-13-27-14-15-29-22(27)25-24-20-17-10-6-7-11-18(17)26(2)21(20)16-8-4-3-5-9-16;/h3-11,14-15H,12-13H2,1-2H3;1H


name: 4-(dodecyloxy)benzene-1,3-diamine dihydrochloride
cas: 85409-46-7
dtxsid: DTXSID30234619
formula: C18H32N2O
inchikey: XXWWSGJRWGPPNG-UHFFFAOYSA-N
norman_susdat_id: NS00065987
pubchem_cid: 3020684
smiles: Cl.Cl.O(C1=CC=C(N)C=C1N)CCCCCCCCCCCC
inchi:
InChI=1/C18H32N2O.2ClH/c1-2-3-4-5-6-7-8-9-10-11-14-21-18-13-12-16(19)15-17(18)20;;/h12-13,15H,2-11,14,19-20H2,1H3;2*1H


name: Bis([1,1'-biphenyl]-4-yl)iodochromium
cas: 85409-47-8
formula: C24H18CrI
inchikey: BIRIJWVZTHIYOR-UHFFFAOYSA-M
norman_susdat_id: NS00093009
smiles: I[Cr](c1ccc(cc1)c2ccccc2)c3ccc(cc3)c4ccccc4
inchi:
InChI=1/2C12H9.Cr.HI/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h2*1,3-10H;;1H/q;;+1;/p-1/rC24H18CrI/c26-25(23-15-11-21(12-16-23)19-7-3-1-4-8-19)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H


name: 4-hydroxy-3-[(4-nitrophenyl)azo]-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonic acid
cas: 85409-49-0
formula: C23H18N4O11S3
inchikey: TXXKONXNGGPOSG-UHFFFAOYSA-N
norman_susdat_id: NS00093010
smiles: Cc1ccc(cc1)S(=O)(=O)Nc3cc(cc4cc(c(N=Nc2ccc(cc2)[N+]([O-])=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O
inchi:
InChI=1/C23H18N4O11S3/c1-13-2-8-17(9-3-13)39(31,32)26-19-12-18(40(33,34)35)10-14-11-20(41(36,37)38)22(23(28)21(14)19)25-24-15-4-6-16(7-5-15)27(29)30/h2-12,26,28H,1H3,(H,33,34,35)(H,36,37,38)


name: 4-hydroxy-3-[[2-methyl-5-[(phenylamino)sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid
cas: 85409-50-3
formula: C23H19N3O6S2
inchikey: BUKNNWICSNVVSM-UHFFFAOYSA-N
norman_susdat_id: NS00065241
pubchem_cid: 3020685
smiles: O=S(=O)(O)C1=CC=2C=CC=CC2C(O)=C1N=NC3=CC(=CC=C3C)S(=O)(=O)NC=4C=CC=CC4
inchi:
InChI=1/C23H19N3O6S2/c1-15-11-12-18(33(28,29)26-17-8-3-2-4-9-17)14-20(15)24-25-22-21(34(30,31)32)13-16-7-5-6-10-19(16)23(22)27/h2-14,26-27H,1H3,(H,30,31,32)


name: Disodium 8-[[5-anilinosulphonyl-2-methylphenyl]azo]-7-hydroxynaphthalene-1,3-disulphonate
cas: 85409-51-4
formula: C23H19N3O9S3
inchikey: VTPJKWZZLUVOPP-UHFFFAOYSA-L
norman_susdat_id: NS00064712
pubchem_cid: 3020688
inchi:
InChI=1/C23H19N3O9S3.2Na/c1-14-7-9-17(36(28,29)26-16-5-3-2-4-6-16)12-19(14)24-25-23-20(27)10-8-15-11-18(37(30,31)32)13-21(22(15)23)38(33,34)35;;/h2-13,26-27H,1H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC=C(O)C(N=NC3=CC(=CC=C3C)S(=O)(=O)NC=4C=CC=CC4)=C2C(=C1)S(=O)(=O)[O-]


name: 8-[[5-anilinosulphonyl-2-methylphenyl]azo]-7-hydroxynaphthalene-1,3-disulphonic acid
cas: 85409-52-5
formula: C23H19N3O9S3
inchikey: BFOCEYMSLGHCAB-UHFFFAOYSA-N
norman_susdat_id: NS00092295
smiles: O=S(=O)(Nc1ccccc1)c4cc(N=Nc2c3c(ccc2O)cc(cc3S(O)(=O)=O)S(O)(=O)=O)c(C)cc4
inchi:
InChI=1/C23H19N3O9S3/c1-14-7-9-17(36(28,29)26-16-5-3-2-4-6-16)12-19(14)24-25-23-20(27)10-8-15-11-18(37(30,31)32)13-21(22(15)23)38(33,34)35/h2-13,26-27H,1H3,(H,30,31,32)(H,33,34,35)


name: Sodium 6-amino-3-[[5-anilinosulphonyl-2-methylphenyl]azo]-4-hydroxynaphthalene-2-sulphonate
cas: 85409-53-6
formula: C23H20N4O6S2
inchikey: JWRQANJBOWNUCE-UHFFFAOYSA-M
norman_susdat_id: NS00065988
pubchem_cid: 3020690
smiles: [Na+].O=S(=O)([O-])C1=CC2=CC=C(N)C=C2C(O)=C1N=NC3=CC(=CC=C3C)S(=O)(=O)NC=4C=CC=CC4
inchi:
InChI=1/C23H20N4O6S2.Na/c1-14-7-10-18(34(29,30)27-17-5-3-2-4-6-17)13-20(14)25-26-22-21(35(31,32)33)11-15-8-9-16(24)12-19(15)23(22)28;/h2-13,27-28H,24H2,1H3,(H,31,32,33);/q;+1/p-1


name: 6-amino-3-[[5-anilinosulphonyl-2-methylphenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid
cas: 85409-54-7
formula: C23H20N4O6S2
inchikey: RPBWMBIMMYHZFS-UHFFFAOYSA-N
norman_susdat_id: NS00093011
smiles: O=S(=O)(Nc1ccccc1)c4cc(N=Nc3c(cc2ccc(N)cc2c3O)S(O)(=O)=O)c(C)cc4
inchi:
InChI=1/C23H20N4O6S2/c1-14-7-10-18(34(29,30)27-17-5-3-2-4-6-17)13-20(14)25-26-22-21(35(31,32)33)11-15-8-9-16(24)12-19(15)23(22)28/h2-13,27-28H,24H2,1H3,(H,31,32,33)


cas: 85409-55-8
formula: C23H24N4O8S
inchikey: SUNYAGHCOLNIAY-UHFFFAOYSA-N
norman_susdat_id: NS00065989
pubchem_cid: 3020691
smiles: O=C(OCC)C1=NN(C(=O)C1N=NC2=CC(=CC=C2OC)S(=O)(=O)CCOC(=O)C)C=3C=CC=CC3
name:
Ethyl 4-[[5-[[2-(acetoxy)ethyl]sulphonyl]-2-methoxyphenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C23H24N4O8S/c1-4-34-23(30)21-20(22(29)27(26-21)16-8-6-5-7-9-16)25-24-18-14-17(10-11-19(18)33-3)36(31,32)13-12-35-15(2)28/h5-11,14,20H,4,12-13H2,1-3H3


cas: 85409-56-9
formula: C23H28N5O9S
inchikey: ILPRZRUGQLMRDZ-UHFFFAOYSA-N
norman_susdat_id: NS00066008
pubchem_cid: 3020692
smiles: O=C(OCCS(=O)(=O)C1=CC=C(OC)C(=C1)N2NC(=O)C(N=NC3=CC=C(OC)C=C3[N+](=O)[O-])C2C)CC
name:
2,4-dihydro-4-[(4-methoxy-2-nitrophenyl)azo]-1-[2-methoxy-5-[[2-(propionyloxy)ethyl]sulphonyl]phenyl]-5-methyl-3H-pyrazol-3-one

inchi:
InChI=1/C23H27N5O9S/c1-5-21(29)37-10-11-38(33,34)16-7-9-20(36-4)19(13-16)27-14(2)22(23(30)26-27)25-24-17-8-6-15(35-3)12-18(17)28(31)32/h6-9,12-14,22H,5,10-11H2,1-4H3,(H,26,30)


name: 1-(Butylamino)-4-((3-methylbutyl)amino)anthraquinone
cas: 85409-57-0
chemspiderid: 17333812
dtxsid: DTXSID40234620
formula: C23H28N2O2
inchikey: UAWLYFQIAWYUDA-UHFFFAOYSA-N
norman_susdat_id: NS00038925
pubchem_cid: 16205617
smiles: CCCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCC(C)C)cc1
inchi:
InChI=1S/C23H28N2O2/c1-4-5-13-24-18-10-11-19(25-14-12-15(2)3)21-20(18)22(26)16-8-6-7-9-17(16)23(21)27/h6-11,15,24-25H,4-5,12-14H2,1-3H3


cas: 85409-58-1
formula: C24H19N5O7S
inchikey: QVNXSUKYKYKENR-UHFFFAOYSA-N
norman_susdat_id: NS00092589
smiles: OC(=O)c4ccccc4NS(=O)(=O)c1cccc(c1)N3/N=C(/C)C(N=Nc2ccccc2C(O)=O)C3=O
name:
2-[[1-[3-[[(2-carboxyphenyl)amino]sulphonyl]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4-yl]azo]benzoic acid

inchi:
InChI=1/C24H19N5O7S/c1-14-21(26-25-19-11-4-2-9-17(19)23(31)32)22(30)29(27-14)15-7-6-8-16(13-15)37(35,36)28-20-12-5-3-10-18(20)24(33)34/h2-13,21,28H,1H3,(H,31,32)(H,33,34)


cas: 85409-59-2
formula: C24H19N5O7S
inchikey: XQAOJBQGROMXIK-UHFFFAOYSA-L
norman_susdat_id: NS00064738
pubchem_cid: 11970937
smiles: [Na+].[Na+].O=C([O-])C=1C=CC=CC1N=NC2C(=O)N(N=C2C)C3=CC=CC(=C3)S(=O)(=O)NC=4C=CC=CC4C(=O)[O-]
name:
Disodium 2-[[1-[3-[[(2-carboxylatophenyl)amino]sulphonyl]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzoate

inchi:
InChI=1/C24H19N5O7S.2Na/c1-14-21(26-25-19-11-4-2-9-17(19)23(31)32)22(30)29(27-14)15-7-6-8-16(13-15)37(35,36)28-20-12-5-3-10-18(20)24(33)34;;/h2-13,21,28H,1H3,(H,31,32)(H,33,34);;/q;2*+1/p-2


name: 1,4-Bis((3-methylbutyl)amino)anthraquinone
cas: 85409-60-5
chemspiderid: 17333813
dtxsid: DTXSID00234621
formula: C24H30N2O2
inchikey: SJTIMPRLGIEWAC-UHFFFAOYSA-N
norman_susdat_id: NS00038926
pubchem_cid: 16205618
smiles: CC(C)CCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCC(C)C)cc1
inchi:
InChI=1S/C24H30N2O2/c1-15(2)11-13-25-19-9-10-20(26-14-12-16(3)4)22-21(19)23(27)17-7-5-6-8-18(17)24(22)28/h5-10,15-16,25-26H,11-14H2,1-4H3


name: 2,4-Dihydro-2-(5-((2-hydroxyethyl)sulphonyl)-2-methoxyphenyl)-5-methyl-3H-pyrazol-3-one
cas: 85409-61-6
chemspiderid: 2287517
dtxsid: DTXSID60234622
formula: C13H16N2O5S1
inchikey: RXRCCQQVBOVNFJ-UHFFFAOYSA-N
norman_susdat_id: NS00038927
pubchem_cid: 3020696
smiles: COc1c(cc(cc1)S(=O)(=O)CCO)N1N=C(C)CC1=O
inchi:
InChI=1S/C13H16N2O5S/c1-9-7-13(17)15(14-9)11-8-10(3-4-12(11)20-2)21(18,19)6-5-16/h3-4,8,16H,5-7H2,1-2H3


cas: 85409-62-7
formula: C25H18Cl3N9O10S3
inchikey: CBYJYUPPRYTYSA-UHFFFAOYSA-N
norman_susdat_id: NS00092590
name:
4-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonic acid

inchi:
InChI=1/C25H18Cl3N9O10S3/c1-11-21(22(38)37(36-11)18-9-16(27)20(10-15(18)26)50(45,46)47)35-34-17-8-13(5-6-19(17)49(42,43)44)30-25-32-23(28)31-24(33-25)29-12-3-2-4-14(7-12)48(39,40)41/h2-10,21H,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33)

smiles:
OS(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4C(\C)=N/N(c3cc(Cl)c(cc3Cl)S(O)(=O)=O)C4=O)c(cc5)S(O)(=O)=O


name: 4,4'-[(4,6-dihydroxy-1,3-phenylene)bis(azo)]bis(benzenesulphonic) acid
cas: 85409-63-8
formula: C18H14N4O8S2
inchikey: XOGMFYTYDBUIQF-UHFFFAOYSA-N
norman_susdat_id: NS00093042
smiles: Oc2cc(O)c(cc2N=Nc1ccc(cc1)S(O)(=O)=O)N=Nc3ccc(cc3)S(O)(=O)=O
inchi:
InChI=1/C18H14N4O8S2/c23-17-10-18(24)16(22-20-12-3-7-14(8-4-12)32(28,29)30)9-15(17)21-19-11-1-5-13(6-2-11)31(25,26)27/h1-10,23-24H,(H,25,26,27)(H,28,29,30)


name: 2-[[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)methyl]azo]-4-nitrophenol
cas: 85409-64-9
formula: C18H19N4O3
inchikey: AUHGAASRWDDCDD-UHFFFAOYSA-N
norman_susdat_id: NS00066029
pubchem_cid: 3020697
smiles: O=[N+]([O-])C1=CC=C(O)C(N=NC=C2N(C=3C=CC=CC3C2(C)C)C)=C1
inchi:
InChI=1/C18H18N4O3/c1-18(2)13-6-4-5-7-15(13)21(3)17(18)11-19-20-14-10-12(22(24)25)8-9-16(14)23/h4-11,23H,1-3H3


name: Bis(2-ethylhexyl) 4-(isopropyl)-5-methylphthalate
cas: 85409-66-1
dtxsid: DTXSID501005907
formula: C28H46O4
inchikey: QBKDKZSFNDEINP-UHFFFAOYSA-N
norman_susdat_id: NS00065275
pubchem_cid: 3020698
smiles: O=C(OCC(CC)CCCC)C=1C=C(C(=CC1C(=O)OCC(CC)CCCC)C(C)C)C
inchi:
InChI=1/C28H46O4/c1-8-12-14-22(10-3)18-31-27(29)25-16-21(7)24(20(5)6)17-26(25)28(30)32-19-23(11-4)15-13-9-2/h16-17,20,22-23H,8-15,18-19H2,1-7H3


name: Bis(3-cyclohexylpropyl) phthalate
cas: 85409-67-2
chemspiderid: 2287519
dtxsid: DTXSID20234623
formula: C26H38O4
inchikey: IPPGURVEOVWSRH-UHFFFAOYSA-N
norman_susdat_id: NS00038928
pubchem_cid: 3020699
smiles: O=C(OCCCC1CCCCC1)c1c(cccc1)C(=O)OCCCC1CCCCC1
inchi:
InChI=1S/C26H38O4/c27-25(29-19-9-15-21-11-3-1-4-12-21)23-17-7-8-18-24(23)26(28)30-20-10-16-22-13-5-2-6-14-22/h7-8,17-18,21-22H,1-6,9-16,19-20H2


name: Cyclohexane-1,4-diylbis(methylene) diisobutyrate
cas: 85409-70-7
chemspiderid: 26559484
dtxsid: DTXSID80234624
formula: C16H28O4
inchikey: XKYOVTCKPSRDLG-UHFFFAOYSA-N
norman_susdat_id: NS00038929
pubchem_cid: 44151987
smiles: CC(C)C(=O)OCC1CCC(COC(=O)C(C)C)CC1
inchi:
InChI=1S/C16H28O4/c1-11(2)15(17)19-9-13-5-7-14(8-6-13)10-20-16(18)12(3)4/h11-14H,5-10H2,1-4H3/t13-,14+


cas: 85409-71-8
formula: C24H20N6O4
inchikey: PYHOAIJLCCSEKN-UHFFFAOYSA-N
norman_susdat_id: NS00064739
pubchem_cid: 135755700
smiles: N#CC=1C(=O)NC(O)=C(N=NC=2C=CC=CC2C3=NC(=NO3)CCOCC=4C=CC=CC4)C1C
name:
1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-[[2-[3-[2-(phenylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]azo]nicotinonitrile

inchi:
InChI=1/C24H20N6O4/c1-15-18(13-25)22(31)27-23(32)21(15)29-28-19-10-6-5-9-17(19)24-26-20(30-34-24)11-12-33-14-16-7-3-2-4-8-16/h2-10H,11-12,14H2,1H3,(H2,27,31,32)


name: N-[5-[(2-butoxy-2-hydroxyethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]acetamide
cas: 85409-73-0
formula: C21H27ClN6O8
inchikey: HFRNBOQRHDDPJN-UHFFFAOYSA-N
norman_susdat_id: NS00064802
pubchem_cid: 3020700
smiles: O=C(NC=1C=C(NCC(O)OCCCC)C(OC)=CC1N=NC2=C(Cl)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C
inchi:
InChI=1/C21H25ClN6O8/c1-4-5-6-36-20(30)11-23-17-9-15(24-12(2)29)16(10-19(17)35-3)25-26-21-14(22)7-13(27(31)32)8-18(21)28(33)34/h7-10,20,23,30H,4-6,11H2,1-3H3,(H,24,29)


name: 6-amino-4-methyl-5-[(4-nitrophenyl)azo]-2-[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile
cas: 85409-74-1
formula: C24H26N7O4
inchikey: PBFPIWUOXLTYMA-UHFFFAOYSA-N
norman_susdat_id: NS00065276
pubchem_cid: 3020701
smiles: N#CC=1C(=NC(N)=C(N=NC2=CC=C(C=C2)[N+](=O)[O-])C1C)NCCCOCCOC=3C=CC=CC3
inchi:
InChI=1/C24H25N7O4/c1-17-21(16-25)24(27-12-5-13-34-14-15-35-20-6-3-2-4-7-20)28-23(26)22(17)30-29-18-8-10-19(11-9-18)31(32)33/h2-4,6-11H,5,12-15H2,1H3,(H3,26,27,28)


name: 2,4,6-tris[(dimethylamino)methyl]phenol monoacetate
cas: 85409-80-9
formula: C15H27N3O.C2H4O2
inchikey: NSSNYIULMLAKQW-UHFFFAOYSA-N
norman_susdat_id: NS00093043
smiles: CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1.CC(=O)O
inchi:
InChI=1/C15H27N3O.C2H4O2/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6;1-2(3)4/h7-8,19H,9-11H2,1-6H3;1H3,(H,3,4)


name: Octahydro-1,6-bis(hydroxymethyl)-4,7-methano-1H-indene-2,5-diyl diacrylate
cas: 85409-82-1
dtxsid: DTXSID901005911
formula: C18H24O6
inchikey: AEOOKQQYROTMQW-UHFFFAOYSA-N
norman_susdat_id: NS00066031
pubchem_cid: 44145728
smiles: O=C(OC1CC2C3CC(C(CO)C3OC(=O)C=C)C2C1CO)C=C
inchi:
InChI=1/C18H24O6/c1-3-15(21)23-14-6-10-11-5-9(17(10)13(14)8-20)12(7-19)18(11)24-16(22)4-2/h3-4,9-14,17-20H,1-2,5-8H2


name: N,N'-[oxybis(2,1-ethanediyloxymethylene)]bis[N-(butoxymethyl)acrylamide]
cas: 85409-83-2
formula: C22H40N2O7
inchikey: PMCMLIDOEJIYMJ-UHFFFAOYSA-N
norman_susdat_id: NS00065277
pubchem_cid: 57354610
smiles: O=C(C=C)N(COCCOCCOCN(C(=O)C=C)COCCCC)COCCCC
inchi:
InChI=1/C22H40N2O7/c1-5-9-11-28-17-23(21(25)7-3)19-30-15-13-27-14-16-31-20-24(22(26)8-4)18-29-12-10-6-2/h7-8H,3-6,9-20H2,1-2H3


name: 8-Methylnonyl phenylmethyl phthalate
cas: 85409-84-3
chemspiderid: 2287523
dtxsid: DTXSID80234629
formula: C25H32O4
inchikey: JEDQSFKWKKVGLW-UHFFFAOYSA-N
norman_susdat_id: NS00038930
pubchem_cid: 3020703
smiles: CC(C)CCCCCCCOC(=O)c1c(cccc1)C(=O)OCc1ccccc1
inchi:
InChI=1S/C25H32O4/c1-20(2)13-7-4-3-5-12-18-28-24(26)22-16-10-11-17-23(22)25(27)29-19-21-14-8-6-9-15-21/h6,8-11,14-17,20H,3-5,7,12-13,18-19H2,1-2H3


name: Sodium 3-tridecylbenzenesulphonate
cas: 85409-86-5
dtxsid: DTXSID90234630
formula: C19H32O3S
inchikey: JZJODLWMQNCLHV-UHFFFAOYSA-M
norman_susdat_id: NS00064740
pubchem_cid: 3020707
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(C1)CCCCCCCCCCCCC
inchi:
InChI=1/C19H32O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16-19(17-18)23(20,21)22;/h13,15-17H,2-12,14H2,1H3,(H,20,21,22);/q;+1/p-1


name: Potassium bis(tert-butyl)naphthalenesulphonate
cas: 85409-88-7
formula: C18H24O3S.K
inchikey: UFZPEWYXFLYJJN-UHFFFAOYSA-M
norman_susdat_id: NS00092602
smiles: [K+].CC(C)(C)c1cc2ccccc2c(c1C(C)(C)C)S(=O)(=O)[O-]
inchi:
InChI=1/C18H24O3S.K/c1-17(2,3)14-11-12-9-7-8-10-13(12)16(22(19,20)21)15(14)18(4,5)6;/h7-11H,1-6H3,(H,19,20,21);/q;+1/p-1


name: Calcium bis(butylnaphthalenesulphonate)
cas: 85409-89-8
formula: C14H16O3S.1/2Ca
inchikey: XZYVVRNVJHDYBH-UHFFFAOYSA-L
norman_susdat_id: NS00093045
smiles: [Ca+2].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-].CCCCc3ccc4ccccc4c3S(=O)(=O)[O-]
inchi:
InChI=1/2C14H16O3S.Ca/c2*1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)18(15,16)17;/h2*4-5,7-10H,2-3,6H2,1H3,(H,15,16,17);/q;;+2/p-2


name: Aluminium tris(butylnaphthalenesulphonate)
cas: 85409-90-1
formula: C14H16O3S.1/3Al
inchikey: DUYMYTMBVMSMOD-UHFFFAOYSA-K
norman_susdat_id: NS00092603
inchi:
InChI=1/3C14H16O3S.Al/c3*1-2-3-6-12-10-9-11-7-4-5-8-13(11)14(12)18(15,16)17;/h3*4-5,7-10H,2-3,6H2,1H3,(H,15,16,17);/q;;;+3/p-3

smiles:
[Al+3].CCCCc1ccc2ccccc2c1S(=O)(=O)[O-].CCCCc3ccc4ccccc4c3S(=O)(=O)[O-].CCCCc5ccc6ccccc6c5S(=O)(=O)[O-]


name: Potassium dibutylnaphthalenesulphonate
cas: 85409-94-5
formula: C18H24O3S.K
inchikey: ZLPDNQKSWRKHIP-UHFFFAOYSA-M
norman_susdat_id: NS00092356
smiles: [K+].CCCCc1cc2ccccc2c(c1CCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C18H24O3S.K/c1-3-5-9-14-13-15-10-7-8-12-17(15)18(22(19,20)21)16(14)11-6-4-2;/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21);/q;+1/p-1


name: Potassium dimethylnaphthalenesulphonate
cas: 85409-98-9
formula: C12H12O3S.K
inchikey: FXLIRIZRZOEABT-UHFFFAOYSA-M
norman_susdat_id: NS00092604
smiles: [K+].Cc1cc2ccccc2c(c1C)S(=O)(=O)[O-]
inchi:
InChI=1/C12H12O3S.K/c1-8-7-10-5-3-4-6-11(10)12(9(8)2)16(13,14)15;/h3-7H,1-2H3,(H,13,14,15);/q;+1/p-1


name: Calcium bis(dimethylnaphthalenesulphonate)
cas: 85409-99-0
formula: C12H12O3S.1/2Ca
inchikey: NVJVMBQMPVICEW-UHFFFAOYSA-L
norman_susdat_id: NS00092616
smiles: [Ca+2].Cc1cc2ccccc2c(c1C)S(=O)(=O)[O-].Cc3cc4ccccc4c(c3C)S(=O)(=O)[O-]
inchi:
InChI=1/2C12H12O3S.Ca/c2*1-8-7-10-5-3-4-6-11(10)12(9(8)2)16(13,14)15;/h2*3-7H,1-2H3,(H,13,14,15);/q;;+2/p-2


name: Diethyl (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)phosphonate
cas: 854095-13-9
dtxsid: DTXSID00896708
formula: C16H14F21O3P
inchikey: IUUVQAYNLGBYHS-UHFFFAOYSA-N
norman_susdat_id: NS00109082
smiles: CCOP(=O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC
inchi:
InChI=1S/C16H14F21O3P/c1-3-39-41(38,40-4-2)6-5-7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h3-6H2,1-2H3


name: Aluminium tris(dimethylnaphthalenesulphonate)
cas: 85410-00-0
formula: C12H12O3S.1/3Al
inchikey: XLYCRIMUZNACND-UHFFFAOYSA-K
norman_susdat_id: NS00092323
inchi:
InChI=1/3C12H12O3S.Al/c3*1-8-7-10-5-3-4-6-11(10)12(9(8)2)16(13,14)15;/h3*3-7H,1-2H3,(H,13,14,15);/q;;;+3/p-3

smiles:
[Al+3].Cc1cc2ccccc2c(c1C)S(=O)(=O)[O-].Cc3cc4ccccc4c(c3C)S(=O)(=O)[O-].Cc5cc6ccccc6c(c5C)S(=O)(=O)[O-]


name: Potassium 1-(methylethyl)naphthalenesulphonate
cas: 85410-04-4
formula: C13H16O3S
inchikey: STNYMTWSIKABAV-UHFFFAOYSA-M
norman_susdat_id: NS00066047
pubchem_cid: 86054676
smiles: [K+].O=S(=O)([O-])C1(C=2C=CC=CC2C=CC1)C(C)C
inchi:
InChI=1/C13H16O3S.K/c1-10(2)13(17(14,15)16)9-5-7-11-6-3-4-8-12(11)13;/h3-8,10H,9H2,1-2H3,(H,14,15,16);/q;+1/p-1


name: Calcium (1-methylethyl)naphthalenesulphonate
cas: 85410-05-5
formula: C13H14O3S.1/2Ca
inchikey: SEUKUXKGSYEFQM-UHFFFAOYSA-L
norman_susdat_id: NS00092324
smiles: [Ca+2].CC(C)c1ccc2ccccc2c1S(=O)(=O)[O-].CC(C)c3ccc4ccccc4c3S(=O)(=O)[O-]
inchi:
InChI=1/2C13H14O3S.Ca/c2*1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)17(14,15)16;/h2*3-9H,1-2H3,(H,14,15,16);/q;;+2/p-2


name: Aluminium (1-methylethyl)naphthalenesulphonate
cas: 85410-06-6
formula: C13H14O3S.1/3Al
inchikey: WAQKQYWOJWXXCF-UHFFFAOYSA-K
norman_susdat_id: NS00092375
inchi:
InChI=1/3C13H14O3S.Al/c3*1-9(2)11-8-7-10-5-3-4-6-12(10)13(11)17(14,15)16;/h3*3-9H,1-2H3,(H,14,15,16);/q;;;+3/p-3

smiles:
[Al+3].CC(C)c1ccc2ccccc2c1S(=O)(=O)[O-].CC(C)c3ccc4ccccc4c3S(=O)(=O)[O-].CC(C)c5ccc6ccccc6c5S(=O)(=O)[O-]


name: Ponesimod
cas: 854107-55-4
dtxsid: DTXSID50234631
formula: C23H25ClN2O4S
inchikey: LPAUOXUZGSBGDU-STDDISTJSA-N
norman_susdat_id: NS00072082
smiles: CCC/N=C1S/C(=Cc2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C
inchi:
InChI=1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23-/t17-/m1/s1


name: 2-(3-chloro-4-hydroxy-5-methoxybenzyl)isothiouronium dihydrogen phosphate
cas: 85422-96-4
formula: C9H11ClN2O2S
inchikey: AWXDPELYNAZMCA-UHFFFAOYSA-L
norman_susdat_id: NS00066048
pubchem_cid: 13829082
smiles: O=P([O-])([O-])[O-].ClC=1C=C(C=C(OC)C1O)CSC(N)=[NH2+]
inchi:
InChI=1/C9H11ClN2O2S.H3O4P/c1-14-7-3-5(4-15-9(11)12)2-6(10)8(7)13;1-5(2,3)4/h2-3,13H,4H2,1H3,(H3,11,12);(H3,1,2,3,4)/p-2


name: 1,1'-[(2-hydroxyethyl)imino]bis(3-phenoxypropan-2-ol)
cas: 85422-99-7
dtxsid: DTXSID801005944
formula: C20H27NO5
inchikey: LMDXDNZRAJZFDG-UHFFFAOYSA-N
norman_susdat_id: NS00064760
pubchem_cid: 17959527
smiles: OCCN(CC(O)COC=1C=CC=CC1)CC(O)COC=2C=CC=CC2
inchi:
InChI=1/C20H27NO5/c22-12-11-21(13-17(23)15-25-19-7-3-1-4-8-19)14-18(24)16-26-20-9-5-2-6-10-20/h1-10,17-18,22-24H,11-16H2


name: 4-((4-Amino-3-ethylphenyl)methyl)-2-((4-aminophenyl)methyl)aniline
cas: 85423-01-4
chemspiderid: 2287534
dtxsid: DTXSID70234638
formula: C22H25N3
inchikey: JMTHXNBSOUZLFW-UHFFFAOYSA-N
norman_susdat_id: NS00038933
pubchem_cid: 3020719
smiles: CCc1c(N)ccc(Cc2cc(Cc3ccc(N)cc3)c(N)cc2)c1
inchi:
InChI=1S/C22H25N3/c1-2-18-13-16(5-9-21(18)24)11-17-6-10-22(25)19(14-17)12-15-3-7-20(23)8-4-15/h3-10,13-14H,2,11-12,23-25H2,1H3


name: 2-((4-Amino-3-ethylphenyl)methyl)-4-((4-aminophenyl)methyl)aniline
cas: 85423-02-5
chemspiderid: 2287535
dtxsid: DTXSID30234639
formula: C22H25N3
inchikey: IWWLKYJVPXQUSG-UHFFFAOYSA-N
norman_susdat_id: NS00038934
pubchem_cid: 3020720
smiles: CCc1c(N)ccc(Cc2c(N)ccc(Cc3ccc(N)cc3)c2)c1
inchi:
InChI=1S/C22H25N3/c1-2-18-12-17(6-9-21(18)24)14-19-13-16(5-10-22(19)25)11-15-3-7-20(23)8-4-15/h3-10,12-13H,2,11,14,23-25H2,1H3


name: 2-((4-Aminophenyl)methyl)-4-((4-(ethylamino)phenyl)methyl)aniline
cas: 85423-05-8
chemspiderid: 2287538
dtxsid: DTXSID60234642
formula: C22H25N3
inchikey: OXSAFLAVIWLHPC-UHFFFAOYSA-N
norman_susdat_id: NS00038937
pubchem_cid: 3020723
smiles: CCNc1ccc(Cc2cc(Cc3ccc(N)cc3)c(N)cc2)cc1
inchi:
InChI=1S/C22H25N3/c1-2-25-21-10-5-16(6-11-21)13-18-7-12-22(24)19(15-18)14-17-3-8-20(23)9-4-17/h3-12,15,25H,2,13-14,23-24H2,1H3


name: 4-((4-Aminophenyl)methyl)-2-((4-(ethylamino)phenyl)methyl)aniline
cas: 85423-06-9
chemspiderid: 2287539
dtxsid: DTXSID20234643
formula: C22H25N3
inchikey: ONDLYQCPOPPXNC-UHFFFAOYSA-N
norman_susdat_id: NS00038938
pubchem_cid: 3020724
smiles: CCNc1ccc(Cc2c(N)ccc(Cc3ccc(N)cc3)c2)cc1
inchi:
InChI=1S/C22H25N3/c1-2-25-21-10-5-17(6-11-21)14-19-15-18(7-12-22(19)24)13-16-3-8-20(23)9-4-16/h3-12,15,25H,2,13-14,23-24H2,1H3


name: Hexahydro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-2-oxo-1H-azepine-1-carboxamide
cas: 85423-10-5
dtxsid: DTXSID501005945
formula: C18H29N3O3
inchikey: UTXHODYEQYVYHR-UHFFFAOYSA-N
norman_susdat_id: NS00066262
pubchem_cid: 11970939
smiles: O=C=NC1CC(C)(C)CC(C)(CNC(=O)N2C(=O)CCCCC2)C1
inchi:
InChI=1/C18H29N3O3/c1-17(2)9-14(20-13-22)10-18(3,11-17)12-19-16(24)21-8-6-4-5-7-15(21)23/h14H,4-12H2,1-3H3,(H,19,24)


name: 2,6-Bis(2-isocyanato-3-((2-isocyanatophenyl)methyl)benzyl)phenyl isocyanate
cas: 85423-11-6
chemspiderid: 2287543
dtxsid: DTXSID60234647
formula: C39H25N5O5
inchikey: AHXPEHBCIOCGOK-UHFFFAOYSA-N
norman_susdat_id: NS00038942
pubchem_cid: 3020728
smiles: O=C=Nc1ccccc1Cc1c(N=C=O)c(Cc2c(N=C=O)c(Cc3c(N=C=O)c(Cc4c(cccc4)N=C=O)ccc3)ccc2)ccc1
inchi:
InChI=1S/C39H25N5O5/c45-22-40-35-16-3-1-8-27(35)18-29-10-5-12-31(37(29)42-24-47)20-33-14-7-15-34(39(33)44-26-49)21-32-13-6-11-30(38(32)43-25-48)19-28-9-2-4-17-36(28)41-23-46/h1-17H,18-21H2


name: 2,2'-((4-Formyl-3-methylphenyl)imino)diethyl diacetate
cas: 85439-03-8
chemspiderid: 21164963
dtxsid: DTXSID80234664
formula: C16H21N1O5
inchikey: ZYVAZLMINRGIDY-UHFFFAOYSA-N
norman_susdat_id: NS00038943
pubchem_cid: 56842952
smiles: CC(=O)OCCN(CCOC(=O)C)c1cc(C)c(C=O)cc1
inchi:
InChI=1S/C16H21NO5/c1-12-10-16(5-4-15(12)11-18)17(6-8-21-13(2)19)7-9-22-14(3)20/h4-5,10-11H,6-9H2,1-3H3


name: Quinapril
cas: 85441-61-8
chebiid: CHEBI:8713
chemspiderid: 49565
dtxsid: DTXSID4023547
formula: C25H30N2O5
inchikey: JSDRRTOADPPCHY-HSQYWUDLSA-N
norman_susdat_id: NS00010368
pubchem_cid: 54892
smiles: CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(=O)O
inchi:
InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1


cas: 85443-44-3
dtxsid: DTXSID801005968
formula: C31H25F3N2O3
inchikey: ARPSHSAAMBZTRO-UHFFFAOYSA-N
norman_susdat_id: NS00065051
pubchem_cid: 56842954
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)NC5=CC=C(C=C5)C(F)(F)F)N(CC)CC)C=6C=CC=CC16
name:
6'-(diethylamino)-2'-[[4-(trifluoromethyl)phenyl]amino]spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one

inchi:
InChI=1/C31H25F3N2O3/c1-3-36(4-2)22-14-15-25-28(18-22)38-27-16-13-21(35-20-11-9-19(10-12-20)31(32,33)34)17-26(27)30(25)24-8-6-5-7-23(24)29(37)39-30/h5-18,35H,3-4H2,1-2H3


name: 2'-anilino-3'-chloro-6'-(diethylamino)spiro[isobenzofuran-1[3H],9'-[9H]xanthene]-3-one
cas: 85443-45-4
dtxsid: DTXSID501005969
formula: C30H25ClN2O3
inchikey: MWQVWKAVNPGBJR-UHFFFAOYSA-N
norman_susdat_id: NS00064977
pubchem_cid: 3753807
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC(Cl)=C(C=C42)NC=5C=CC=CC5)N(CC)CC)C=6C=CC=CC16
inchi:
InChI=1/C30H25ClN2O3/c1-3-33(4-2)20-14-15-23-27(16-20)35-28-18-25(31)26(32-19-10-6-5-7-11-19)17-24(28)30(23)22-13-9-8-12-21(22)29(34)36-30/h5-18,32H,3-4H2,1-2H3


name: 4,4',4'',4'''-(Oxydimethylidyne)tetrakis(N,N-dimethylaniline)
cas: 85443-46-5
chemspiderid: 15224454
dtxsid: DTXSID40234665
formula: C34H42N4O1
inchikey: JLPYHQCTDWGUAS-UHFFFAOYSA-N
norman_susdat_id: NS00038944
pubchem_cid: 12516323
smiles: CN(C)c1ccc(cc1)C(OC(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
inchi:
InChI=1S/C34H42N4O/c1-35(2)29-17-9-25(10-18-29)33(26-11-19-30(20-12-26)36(3)4)39-34(27-13-21-31(22-14-27)37(5)6)28-15-23-32(24-16-28)38(7)8/h9-24,33-34H,1-8H3


name: Disodium 3-hydroxy-4-[(2-hydroxy-4-methyl-5-sulphonatophenyl)methyl]naphthalene-1-sulphonate
cas: 85443-47-6
dtxsid: DTXSID00234666
formula: C18H16O8S2
inchikey: ZLWSEHJPYPTSTH-UHFFFAOYSA-L
norman_susdat_id: NS00064978
pubchem_cid: NA
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=C(O)C(=C2C=CC=CC21)CC=3C=C(C(=CC3O)C)S(=O)(=O)[O-]
inchi:
InChI=1/C18H16O8S2.2Na/c1-10-6-15(19)11(8-17(10)27(21,22)23)7-14-12-4-2-3-5-13(12)18(9-16(14)20)28(24,25)26;;/h2-6,8-9,19-20H,7H2,1H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: Bencianol
cas: 85443-48-7
dtxsid: DTXSID60234667
formula: C28H22O6
inchikey: NGJOOUAZHCZCOW-WNCULLNHSA-N
norman_susdat_id: NS00064979
pubchem_cid: 65639
smiles: OC=1C=C(O)C2=C(OC(C3=CC=C4OC(OC4=C3)(C=5C=CC=CC5)C=6C=CC=CC6)C(O)C2)C1
inchi:
InChI=1/C28H22O6/c29-20-14-22(30)21-16-23(31)27(32-25(21)15-20)17-11-12-24-26(13-17)34-28(33-24,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-15,23,27,29-31H,16H2


name: (2R-trans)-2-(3,4-Bis(phenylmethoxy)phenyl)-3,4-dihydro-3,5,7-tris(phenylmethoxy)-2H-1-benzopyran
cas: 85443-49-8
chemspiderid: 9506582
dtxsid: DTXSID20234668
formula: C50H44O6
inchikey: ZQXZWSRJQYKNEG-LOYCUKJKSA-N
norman_susdat_id: NS00038945
pubchem_cid: 11331634
smiles: C(OC1Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2OC1c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1)c1ccccc1
inchi:
InChI=1S/C50H44O6/c1-6-16-37(17-7-1)32-51-43-29-46(53-34-39-20-10-3-11-21-39)44-31-49(55-36-41-24-14-5-15-25-41)50(56-47(44)30-43)42-26-27-45(52-33-38-18-8-2-9-19-38)48(28-42)54-35-40-22-12-4-13-23-40/h1-30,49-50H,31-36H2/t49-,50+/m1/s1


name: Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate
cas: 85443-52-3
chemspiderid: 2287545
dtxsid: DTXSID90234670
formula: C14H19N3O4
inchikey: PGPHYMZSYHYGEF-UHFFFAOYSA-N
norman_susdat_id: NS00038946
pubchem_cid: 3020732
smiles: CCOC(=O)N1CCC(CC1)Nc1ccccc1[N+](=O)[O-]
inchi:
InChI=1S/C14H19N3O4/c1-2-21-14(18)16-9-7-11(8-10-16)15-12-5-3-4-6-13(12)17(19)20/h3-6,11,15H,2,7-10H2,1H3


name: 4-((2-Hydroxy-1-naphthyl)methyl)salicylic acid
cas: 85455-30-7
chemspiderid: 2287546
dtxsid: DTXSID70234673
formula: C18H14O4
inchikey: KATSLVVXUQLRFK-UHFFFAOYSA-N
norman_susdat_id: NS00038948
pubchem_cid: 3020733
smiles: OC(=O)c1c(O)cc(Cc2c(O)ccc3c2cccc3)cc1
inchi:
InChI=1S/C18H14O4/c19-16-8-6-12-3-1-2-4-13(12)15(16)9-11-5-7-14(18(21)22)17(20)10-11/h1-8,10,19-20H,9H2,(H,21,22)


cas: 85455-35-2
formula: C21H21N3O15S4.3Na
inchikey: QTUKSMDVHAAENL-UHFFFAOYSA-K
norman_susdat_id: NS00092434
name:
Trisodium 5-(acetylamino)-4-hydroxy-3-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C21H21N3O15S4.3Na/c1-11(25)22-16-10-14(41(29,30)31)7-12-8-18(42(32,33)34)20(21(26)19(12)16)24-23-15-9-13(3-4-17(15)38-2)40(27,28)6-5-39-43(35,36)37;;;/h3-4,7-10,26H,5-6H2,1-2H3,(H,22,25)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].COc3ccc(cc3N=Nc2c(cc1cc(cc(NC(C)=O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O


name: 2-[[[3-[[8-acetamido-2-hydroxy-1-naphthyl]azo]-4-hydroxyphenyl]sulphonyl]amino]benzoic acid
cas: 85455-36-3
formula: C25H20N4O7S
inchikey: LAWYXMMFNQZIAH-UHFFFAOYSA-N
norman_susdat_id: NS00065462
pubchem_cid: 3020734
smiles: O=C(O)C=1C=CC=CC1NS(=O)(=O)C2=CC=C(O)C(N=NC3=C(O)C=CC4=CC=CC(NC(=O)C)=C43)=C2
inchi:
InChI=1/C25H20N4O7S/c1-14(30)26-19-8-4-5-15-9-11-22(32)24(23(15)19)28-27-20-13-16(10-12-21(20)31)37(35,36)29-18-7-3-2-6-17(18)25(33)34/h2-13,29,31-32H,1H3,(H,26,30)(H,33,34)


cas: 85455-37-4
formula: C25H22N2O7S
inchikey: NUZUJPAPCOOFAA-UHFFFAOYSA-M
norman_susdat_id: NS00066288
pubchem_cid: 53432503
smiles: [Na+].O=C(OCC(C)C)C=1C=CC=C(C1)NC=2C=C(C(N)=C3C(=O)C=4C=CC=CC4C(=O)C23)S(=O)(=O)[O-]
name:
Sodium 1-(2-methylpropyl) 3-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthracenyl)amino]benzoate

inchi:
InChI=1/C25H22N2O7S.Na/c1-13(2)12-34-25(30)14-6-5-7-15(10-14)27-18-11-19(35(31,32)33)22(26)21-20(18)23(28)16-8-3-4-9-17(16)24(21)29;/h3-11,13,27H,12,26H2,1-2H3,(H,31,32,33);/q;+1/p-1


name: 1-(2-methylpropyl) 3-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino]benzoate
cas: 85455-38-5
formula: C25H22N2O7S
inchikey: LQEHSCRHPFGQOC-UHFFFAOYSA-N
norman_susdat_id: NS00093153
smiles: CC(C)COC(=O)c1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c1
inchi:
InChI=1/C25H22N2O7S/c1-13(2)12-34-25(30)14-6-5-7-15(10-14)27-18-11-19(35(31,32)33)22(26)21-20(18)23(28)16-8-3-4-9-17(16)24(21)29/h3-11,13,27H,12,26H2,1-2H3,(H,31,32,33)


name: Sodium 6-amino-5-[[2-[(ethylphenylamino)sulphonyl]phenyl]azo]naphthalene-2-sulphonate
cas: 85455-39-6
formula: C24H22N4O5S2
inchikey: SCCMWLVVVYIBNX-UHFFFAOYSA-M
norman_susdat_id: NS00064980
pubchem_cid: 21149647
smiles: [Na+].O=S(=O)([O-])C1=CC=C2C(C=CC(N)=C2N=NC=3C=CC=CC3S(=O)(=O)N(C=4C=CC=CC4)CC)=C1
inchi:
InChI=1/C24H22N4O5S2.Na/c1-2-28(18-8-4-3-5-9-18)34(29,30)23-11-7-6-10-22(23)26-27-24-20-14-13-19(35(31,32)33)16-17(20)12-15-21(24)25;/h3-16H,2,25H2,1H3,(H,31,32,33);/q;+1/p-1


name: 6-amino-5-[[2-[(ethylphenylamino)sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid
cas: 85455-40-9
formula: C24H22N4O5S2
inchikey: XWMUFRYUSVOFIR-UHFFFAOYSA-N
norman_susdat_id: NS00092474
smiles: CCN(c1ccccc1)S(=O)(=O)c4ccccc4N=Nc2c3ccc(cc3ccc2N)S(O)(=O)=O
inchi:
InChI=1/C24H22N4O5S2/c1-2-28(18-8-4-3-5-9-18)34(29,30)23-11-7-6-10-22(23)26-27-24-20-14-13-19(35(31,32)33)16-17(20)12-15-21(24)25/h3-16H,2,25H2,1H3,(H,31,32,33)


cas: 85455-41-0
formula: C25H22N4O10S3
inchikey: RTRHLOYNAHGFKB-UHFFFAOYSA-L
norman_susdat_id: NS00065071
pubchem_cid: 3020739
name:
Disodium 5-(acetylamino)-4-hydroxy-3-[[2-methyl-5-[(phenylamino)sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C25H22N4O10S3.2Na/c1-14-8-9-18(40(32,33)29-17-6-4-3-5-7-17)12-20(14)27-28-24-22(42(37,38)39)11-16-10-19(41(34,35)36)13-21(26-15(2)30)23(16)25(24)31;;/h3-13,29,31H,1-2H3,(H,26,30)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC(=CC=C3C)S(=O)(=O)NC=4C=CC=CC4)C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C


cas: 85455-42-1
formula: C25H22N4O10S3
inchikey: NNPIYUMQALKSFV-UHFFFAOYSA-N
norman_susdat_id: NS00093154
smiles: O=S(=O)(Nc1ccccc1)c4cc(N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S(O)(=O)=O)S(O)(=O)=O)c(C)cc4
name:
5-(acetylamino)-4-hydroxy-3-[[2-methyl-5-[(phenylamino)sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C25H22N4O10S3/c1-14-8-9-18(40(32,33)29-17-6-4-3-5-7-17)12-20(14)27-28-24-22(42(37,38)39)11-16-10-19(41(34,35)36)13-21(26-15(2)30)23(16)25(24)31/h3-13,29,31H,1-2H3,(H,26,30)(H,34,35,36)(H,37,38,39)


cas: 85455-43-2
formula: C25H23Cl2N5O6S2
inchikey: BCPRZMBBZVMNDU-UHFFFAOYSA-M
norman_susdat_id: NS00064997
pubchem_cid: 21149649
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2C)S(=O)(=O)N(C=3C=CC=CC3)CC)C4=CC(Cl)=C(C=C4Cl)S(=O)(=O)[O-]
name:
Sodium 2,5-dichloro-4-[4-[[5-[(ethylphenylamino)sulphonyl]-o-tolyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C25H23Cl2N5O6S2.Na/c1-4-31(17-8-6-5-7-9-17)39(34,35)18-11-10-15(2)21(12-18)28-29-24-16(3)30-32(25(24)33)22-13-20(27)23(14-19(22)26)40(36,37)38;/h5-14,24H,4H2,1-3H3,(H,36,37,38);/q;+1/p-1


cas: 85455-44-3
formula: C25H23Cl2N5O6S2
inchikey: LRFMSUFPOLRTGA-UHFFFAOYSA-N
norman_susdat_id: NS00092450
smiles: CCN(c1ccccc1)S(=O)(=O)c4cc(N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S(O)(=O)=O)C3=O)c(C)cc4
name:
2,5-dichloro-4-[4-[[5-[(ethylphenylamino)sulphonyl]-o-tolyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C25H23Cl2N5O6S2/c1-4-31(17-8-6-5-7-9-17)39(34,35)18-11-10-15(2)21(12-18)28-29-24-16(3)30-32(25(24)33)22-13-20(27)23(14-19(22)26)40(36,37)38/h5-14,24H,4H2,1-3H3,(H,36,37,38)


name: 2-[[4-[[2-acetamido-4-(diethylamino)phenyl]azo]-5-methoxy-2-methylphenyl]sulphonyl]ethyl propionate
cas: 85455-45-4
formula: C25H34N4O6S
inchikey: QNHFJOWAGUXXFU-UHFFFAOYSA-N
norman_susdat_id: NS00065463
pubchem_cid: 3020742
smiles: O=C(OCCS(=O)(=O)C1=CC(OC)=C(N=NC2=CC=C(C=C2NC(=O)C)N(CC)CC)C=C1C)CC
inchi:
InChI=1/C25H34N4O6S/c1-7-25(31)35-12-13-36(32,33)24-16-23(34-6)22(14-17(24)4)28-27-20-11-10-19(29(8-2)9-3)15-21(20)26-18(5)30/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,26,30)


name: Disodium 4-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]naphthalenesulphonate
cas: 85455-46-5
formula: C26H19N3O7S2.2Na
inchikey: JYYIOFINPOMYMS-UHFFFAOYSA-L
norman_susdat_id: NS00092715
smiles: [Na+].[Na+].[O-]S(=O)(=O)c5ccc(N=Nc2c(cc1cc(ccc1c2O)Nc3ccccc3)S([O-])(=O)=O)c4ccccc45
inchi:
InChI=1/C26H19N3O7S2.2Na/c30-26-19-11-10-18(27-17-6-2-1-3-7-17)14-16(19)15-24(38(34,35)36)25(26)29-28-22-12-13-23(37(31,32)33)21-9-5-4-8-20(21)22;;/h1-15,27,30H,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2


name: 4-[[1-hydroxy-6-(phenylamino)-3-sulpho-2-naphthyl]azo]naphthalenesulphonic acid
cas: 85455-47-6
formula: C26H19N3O7S2
inchikey: PIGJJAZVQIGLRT-UHFFFAOYSA-N
norman_susdat_id: NS00064998
pubchem_cid: 3020745
smiles: O=S(=O)(O)C1=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)O)NC=4C=CC=CC4)C=5C=CC=CC51
inchi:
InChI=1/C26H19N3O7S2/c30-26-19-11-10-18(27-17-6-2-1-3-7-17)14-16(19)15-24(38(34,35)36)25(26)29-28-22-12-13-23(37(31,32)33)21-9-5-4-8-20(21)22/h1-15,27,30H,(H,31,32,33)(H,34,35,36)


name: 4-[(5-chloro-2-methylphenyl)azo]-N-(2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
cas: 85455-50-1
formula: C26H22ClN3O4
inchikey: BFNZPNOJLBXFSP-UHFFFAOYSA-N
norman_susdat_id: NS00064999
pubchem_cid: 3020746
smiles: O=C(NC1=CC(OC)=CC=C1OC)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=CC=C4C)=C2O
inchi:
InChI=1/C26H22ClN3O4/c1-15-8-9-17(27)13-21(15)29-30-24-19-7-5-4-6-16(19)12-20(25(24)31)26(32)28-22-14-18(33-2)10-11-23(22)34-3/h4-14,31H,1-3H3,(H,28,32)


name: 2-(N-Cyclohexyl-4-(2,2-dicyanovinyl)-3-methylanilino)ethyl carbanilate
cas: 85455-51-2
chemspiderid: 21164980
dtxsid: DTXSID30234674
formula: C26H28N4O2
inchikey: WEIWQJRQSLNRJV-UHFFFAOYSA-N
norman_susdat_id: NS00038949
pubchem_cid: 56843056
smiles: Cc1c(C=C(C#N)C#N)ccc(c1)N(CCOC(=O)Nc1ccccc1)C1CCCCC1
inchi:
InChI=1S/C26H28N4O2/c1-20-16-25(13-12-22(20)17-21(18-27)19-28)30(24-10-6-3-7-11-24)14-15-32-26(31)29-23-8-4-2-5-9-23/h2,4-5,8-9,12-13,16-17,24H,3,6-7,10-11,14-15H2,1H3,(H,29,31)


cas: 85455-52-3
formula: C26H30Br2N4O7
inchikey: PLDUXHBACDKFBK-UHFFFAOYSA-N
norman_susdat_id: NS00065000
pubchem_cid: 16205620
smiles: O=C(OCC(=O)OCC)C1=CC(Br)=C(N=NC2=CC=C(C=C2NC(=O)CCC(=O)OC)N(CC)CC)C(Br)=C1
name:
2-ethoxy-2-oxoethyl 3,5-dibromo-4-[[4-(diethylamino)-2-[(4-methoxy-1,4-dioxobutyl)amino]phenyl]azo]benzoate

inchi:
InChI=1/C26H30Br2N4O7/c1-5-32(6-2)17-8-9-20(21(14-17)29-22(33)10-11-23(34)37-4)30-31-25-18(27)12-16(13-19(25)28)26(36)39-15-24(35)38-7-3/h8-9,12-14H,5-7,10-11,15H2,1-4H3,(H,29,33)


name: 1-(butylamino)-4-[(2-ethylhexyl)amino]anthraquinone
cas: 85455-53-4
dtxsid: DTXSID201005984
formula: C26H34N2O2
inchikey: QXAKJXZXSHFUGJ-UHFFFAOYSA-N
norman_susdat_id: NS00066289
pubchem_cid: 16205621
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NCCCC)C13)NCC(CC)CCCC
inchi:
InChI=1/C26H34N2O2/c1-4-7-11-18(6-3)17-28-22-15-14-21(27-16-8-5-2)23-24(22)26(30)20-13-10-9-12-19(20)25(23)29/h9-10,12-15,18,27-28H,4-8,11,16-17H2,1-3H3


cas: 85455-55-6
dtxsid: DTXSID90234675
formula: C26H35N2O
inchikey: PNKCALRXYHCYSH-UHFFFAOYSA-J
norman_susdat_id: NS00065464
pubchem_cid: NA
name:
Bis[2-[2-[4-[(2-ethoxyethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium] tetrachlorozincate

inchi:
InChI=1/2C26H35N2O.4ClH.Zn/c2*1-7-28(17-18-29-8-2)22-15-13-21(20(3)19-22)14-16-25-26(4,5)23-11-9-10-12-24(23)27(25)6;;;;;/h2*9-16,19H,7-8,17-18H2,1-6H3;4*1H;/q2*+1;;;;;+2/p-4/r2C26H35N2O.Cl4Zn/c2*1-7-28(17-18-29-8-2)22-15-13-21(20(3)19-22)14-16-25-26(4,5)23-11-9-10-12-24(23)27(25)6;1-5(2,3)4/h2*9-16,19H,7-8,17-18H2,1-6H3;/q2*+1;-2

smiles:
Cl[Zn-2](Cl)(Cl)Cl.O(CC)CCN(C1=CC=C(C=CC2=[N+](C=3C=CC=CC3C2(C)C)C)C(=C1)C)CC.O(CC)CCN(C1=CC=C(C=CC2=[N+](C=3C=CC=CC3C2(C)C)C)C(=C1)C)CC


cas: 85455-56-7
formula: C27H20ClN7O9S2
inchikey: PGXIHDHBJKQSJW-UHFFFAOYSA-K
norman_susdat_id: NS00065072
pubchem_cid: NA
name:
Trisodium 3-[[6-[[4-chloro-6-[phenyl(sulphonatomethyl)amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzoate

inchi:
InChI=1/C27H20ClN7O9S2.3Na/c28-25-30-26(32-27(31-25)35(14-45(39,40)41)19-7-2-1-3-8-19)29-17-9-10-20-16(12-17)13-21(46(42,43)44)22(23(20)36)34-33-18-6-4-5-15(11-18)24(37)38;;;/h1-13,36H,14H2,(H,37,38)(H,39,40,41)(H,42,43,44)(H,29,30,31,32);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C=1C=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC4=NC(Cl)=NC(=N4)N(C=5C=CC=CC5)CS(=O)(=O)[O-])C1


name: Sodium 7-[(3-aminobenzoyl)amino]-4-hydroxy-3-(2-naphthylazo)naphthalene-2-sulphonate
cas: 85455-57-8
formula: C27H20N4O5S
inchikey: UTIABOMNTOOGDI-UHFFFAOYSA-M
norman_susdat_id: NS00066290
pubchem_cid: 3020749
smiles: [Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=4C=CC=CC4C3)C2O)S(=O)(=O)[O-])C=5C=CC=C(N)C5
inchi:
InChI=1/C27H20N4O5S.Na/c28-20-7-3-6-18(12-20)27(33)29-21-10-11-23-19(14-21)15-24(37(34,35)36)25(26(23)32)31-30-22-9-8-16-4-1-2-5-17(16)13-22;/h1-15,32H,28H2,(H,29,33)(H,34,35,36);/q;+1/p-1


cas: 85455-58-9
formula: C27H22ClN7O10S3
inchikey: LSRKOPSOXHHRGR-UHFFFAOYSA-K
norman_susdat_id: NS00066291
pubchem_cid: NA
name:
Trisodium 7-[[4-chloro-6-[phenyl(sulphonatomethyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C27H22ClN7O10S3.3Na/c1-15-7-10-20(21(11-15)47(40,41)42)33-34-23-22(48(43,44)45)13-16-12-17(8-9-19(16)24(23)36)29-26-30-25(28)31-27(32-26)35(14-46(37,38)39)18-5-3-2-4-6-18;;;/h2-13,36H,14H2,1H3,(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+].O=S(=O)([O-])C1=CC(=CC=C1N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC4=NC(Cl)=NC(=N4)N(C=5C=CC=CC5)CS(=O)(=O)[O-])C


cas: 85455-59-0
formula: C27H22ClN7O11S3
inchikey: WIZBPMQAMJNOHO-UHFFFAOYSA-K
norman_susdat_id: NS00065073
pubchem_cid: 135755709
name:
Trisodium 7-[[4-chloro-6-[phenyl(sulphonatomethyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C27H22ClN7O11S3.3Na/c1-46-18-8-10-20(21(13-18)48(40,41)42)33-34-23-22(49(43,44)45)12-15-11-16(7-9-19(15)24(23)36)29-26-30-25(28)31-27(32-26)35(14-47(37,38)39)17-5-3-2-4-6-17;;;/h2-13,36H,14H2,1H3,(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+].O=S(=O)([O-])C1=CC(OC)=CC=C1N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC4=NC(Cl)=NC(=N4)N(C=5C=CC=CC5)CS(=O)(=O)[O-]


name: N-[2-[(2-aminoethyl)amino]ethyl]stearamide diacetate
cas: 85455-60-3
formula: C22H47N3O.2C2H4O2
inchikey: YUEABYFXTBPBMI-UHFFFAOYSA-N
norman_susdat_id: NS00092451
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCN.CC(=O)O.CC(=O)O
inchi:
InChI=1/C22H47N3O.2C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23;2*1-2(3)4/h24H,2-21,23H2,1H3,(H,25,26);2*1H3,(H,3,4)


name: 1-(2-aminoethyl)-2-(5,8-heptadecadienyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium chloride
cas: 85455-61-4
formula: C24H46N3O
inchikey: OUDFWMPRTYJCHS-UHFFFAOYSA-M
norman_susdat_id: NS00065001
pubchem_cid: 53422012
smiles: [Cl-].OCC[N+]1(C(=NCC1)CCCCC=CCC=CCCCCCCCC)CCN
inchi:
InChI=1/C24H46N3O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-21-27(24,20-18-25)22-23-28;/h9-10,12-13,28H,2-8,11,14-23,25H2,1H3;1H/q+1;/p-1


name: Disodium 1-icosyl 2-sulphonatosuccinate
cas: 85455-64-7
dtxsid: DTXSID901005985
formula: C24H46O7S
inchikey: SFQDCIUQEFAJAY-UHFFFAOYSA-L
norman_susdat_id: NS00065002
pubchem_cid: 11970951
smiles: [Na+].[Na+].O=C([O-])CC(C(=O)OCCCCCCCCCCCCCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C24H46O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-24(27)22(21-23(25)26)32(28,29)30;;/h22H,2-21H2,1H3,(H,25,26)(H,28,29,30);;/q;2*+1/p-2


name: 2-((2-Aminoethyl)amino)ethyl stearate
cas: 85455-65-8
chemspiderid: 2287553
dtxsid: DTXSID10234677
formula: C22H46N2O2
inchikey: PRDGXECTJBANIO-UHFFFAOYSA-N
norman_susdat_id: NS00038950
pubchem_cid: 3020750
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCNCCN
inchi:
InChI=1S/C22H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-20-24-19-18-23/h24H,2-21,23H2,1H3


name: Bis(2-ethylhexyl) hydrogen phosphate, compound with ethylenediamine (2:1)
cas: 85455-67-0
formula: C16H35O4P.1/2C2H8N2
inchikey: DIACQUKIQVEDEP-UHFFFAOYSA-N
norman_susdat_id: NS00092475
smiles: CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.NCCN
inchi:
InChI=1/2C16H35O4P.C2H8N2/c2*1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;3-1-2-4/h2*15-16H,5-14H2,1-4H3,(H,17,18);1-4H2


name: Sodium 3-hydroxy-4-[(2-hydroxyphenyl)methyl]naphthalenesulphonate
cas: 85455-71-6
dtxsid: DTXSID40234680
formula: C17H14O5S
inchikey: VRBSMDAVVGUERI-UHFFFAOYSA-M
norman_susdat_id: NS00066292
pubchem_cid: 3020755
smiles: [Na+].O=S(=O)([O-])C=1C=C(O)C(=C2C=CC=CC21)CC=3C=CC=CC3O
inchi:
InChI=1/C17H14O5S.Na/c18-15-8-4-1-5-11(15)9-14-12-6-2-3-7-13(12)17(10-16(14)19)23(20,21)22;/h1-8,10,18-19H,9H2,(H,20,21,22);/q;+1/p-1


name: Naloxegol
cas: 854601-70-0
chemspiderid: 28651656
dtxsid: DTXSID80234684
formula: C34H53N1O11
inchikey: XNKCCCKFOQNXKV-UHFFFAOYSA-N
norman_susdat_id: NS00040708
pubchem_cid: 56959087
smiles: COCCOCCOCCOCCOCCOCCOCCOC1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC=C)c45
inchi:
InChI=1S/C34H53NO11/c1-3-9-35-10-8-33-30-26-4-5-27(36)31(30)46-32(33)28(6-7-34(33,37)29(35)25-26)45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-2/h3-5,28-29,32,36-37H,1,6-25H2,2H3


name: 2-(2,4-dichlorophenyl)-1-(1h-imidazol-1-yl)octan-2-ol
cas: 85473-17-2
dtxsid: DTXSID601006015
formula: C17H22Cl2N2O
inchikey: WJBNLGBHMWNHRZ-KRWDZBQOSA-N
norman_susdat_id: NS00070200
pubchem_cid: 5289140
smiles: CCCCCC[C@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl
inchi:
InChI=1S/C17H22Cl2N2O/c1-2-3-4-5-8-17(22,12-21-10-9-20-13-21)15-7-6-14(18)11-16(15)19/h6-7,9-11,13,22H,2-5,8,12H2,1H3/t17-/m0/s1


name: Acetic acid, (2-methoxyphenoxy)-, bismuth salt, basic
cas: 85480-51-9
formula: -
inchikey: QIKWCOAPACRZEV-UHFFFAOYSA-M
norman_susdat_id: NS00092998
smiles: [BiH3+3].COc1ccccc1OCC(=O)[O-]
inchi:
InChI=1/C9H10O4.Bi.3H/c1-12-7-4-2-3-5-8(7)13-6-9(10)11;;;;/h2-5H,6H2,1H3,(H,10,11);;;;/q;+3;;;/p-1/rC9H10O4.BiH3/c1-12-7-4-2-3-5-8(7)13-6-9(10)11;/h2-5H,6H2,1H3,(H,10,11);1H3/q;+3/p-1


name: 6-amino-5-[[5-chloro-2-[(p-tolyl)sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid
cas: 85480-79-1
dtxsid: DTXSID401006045
formula: C23H18ClN3O6S2
inchikey: VPDBOKPMZDXVIT-UHFFFAOYSA-N
norman_susdat_id: NS00064877
pubchem_cid: 166664
smiles: O=S(=O)(O)C1=CC(O)=C2C(C=CC(N)=C2N=NC3=CC(Cl)=CC=C3S(=O)(=O)C4=CC=C(C=C4)C)=C1
inchi:
InChI=1/C23H18ClN3O6S2/c1-13-2-6-16(7-3-13)34(29,30)21-9-5-15(24)11-19(21)26-27-23-18(25)8-4-14-10-17(35(31,32)33)12-20(28)22(14)23/h2-12,28H,25H2,1H3,(H,31,32,33)


cas: 85480-80-4
formula: C25H20N4O8S
inchikey: ZOTWLBVZCRTKCL-UHFFFAOYSA-N
norman_susdat_id: NS00066194
pubchem_cid: 3020756
smiles: O=C(O)C=1C=CC=CC1NS(=O)(=O)C2=CC=C(O)C(N=NC3=C(O)C=CC4=CC=CC(NC(=O)OC)=C43)=C2
name:
2-[[[4-hydroxy-3-[[2-hydroxy-8-[(methoxycarbonyl)amino]-1-naphthyl]azo]phenyl]sulphonyl]amino]benzoic acid

inchi:
InChI=1/C25H20N4O8S/c1-37-25(34)26-18-8-4-5-14-9-11-21(31)23(22(14)18)28-27-19-13-15(10-12-20(19)30)38(35,36)29-17-7-3-2-6-16(17)24(32)33/h2-13,29-31H,1H3,(H,26,34)(H,32,33)


name: 2-(3,5-Dimethyl-1H-pyrazol-4-yl)-6-methoxy-1H-benz(de)isoquinoline-1,3(2H)-dione
cas: 85480-81-5
chemspiderid: 21164995
dtxsid: DTXSID50234696
formula: C18H15N3O3
inchikey: FYKXTNSLMJWQBE-UHFFFAOYSA-N
norman_susdat_id: NS00038953
pubchem_cid: 56843168
smiles: COc1c2cccc3c(=O)n(c4c(C)[nH]nc4C)c(=O)c(cc1)c23
inchi:
InChI=1S/C18H15N3O3/c1-9-16(10(2)20-19-9)21-17(22)12-6-4-5-11-14(24-3)8-7-13(15(11)12)18(21)23/h4-8H,1-3H3,(H,19,20)


name: 3-[(4-amino-1-naphthyl)azo]naphthalene-2,7-disulphonic acid
cas: 85480-82-6
formula: C20H15N3O6S2
inchikey: OXBACEUPBWCFNY-UHFFFAOYSA-N
norman_susdat_id: NS00066195
pubchem_cid: 3020757
smiles: O=S(=O)(O)C1=CC=C2C=C(N=NC3=CC=C(N)C=4C=CC=CC34)C(=CC2=C1)S(=O)(=O)O
inchi:
InChI=1/C20H15N3O6S2/c21-17-7-8-18(16-4-2-1-3-15(16)17)22-23-19-10-12-5-6-14(30(24,25)26)9-13(12)11-20(19)31(27,28)29/h1-11H,21H2,(H,24,25,26)(H,27,28,29)


name: 9-(2-carboxylatophenyl)-3,6-bis[(o-tolyl)amino]xanthylium
cas: 85480-83-7
formula: C34H26N2O3
inchikey: WWQOZJUFLYCIKB-UHFFFAOYSA-M
norman_susdat_id: NS00092407
smiles: Cc1ccccc1Nc2ccc3c(c4ccccc4C(=O)[O-])c5ccc(Nc6ccccc6C)cc5[o+]c3c2
inchi:
InChI=1/C34H26N2O3/c1-21-9-3-7-13-29(21)35-23-15-17-27-31(19-23)39-32-20-24(36-30-14-8-4-10-22(30)2)16-18-28(32)33(27)25-11-5-6-12-26(25)34(37)38/h3-20,35-36H,1-2H3


cas: 85480-88-2
dtxsid: DTXSID10234697
formula: C26H24N5OS
inchikey: KWJCQWVUNKBHQK-UHFFFAOYSA-L
norman_susdat_id: NS00064972
pubchem_cid: NA
name:
Bis[3-(3-amino-3-oxopropyl)-2-[(1-ethyl-2-phenyl-1H-indol-3-yl)azo]benzothiazolium] tetrachlorozincate

inchi:
InChI=1/2C26H23N5OS.4ClH.Zn/c2*1-2-30-20-13-7-6-12-19(20)24(25(30)18-10-4-3-5-11-18)28-29-26-31(17-16-23(27)32)21-14-8-9-15-22(21)33-26;;;;;/h2*3-15H,2,16-17H2,1H3,(H-,27,32);4*1H;/q;;;;;;+2/p-2/r2C26H23N5OS.Cl4Zn/c2*1-2-30-20-13-7-6-12-19(20)24(25(30)18-10-4-3-5-11-18)28-29-26-31(17-16-23(27)32)21-14-8-9-15-22(21)33-26;1-5(2,3)4/h2*3-15H,2,16-17H2,1H3,(H-,27,32);/q;;-2/p+2

smiles:
O=C(N)CC[N+]1=C(N=NC=2C=3C=CC=CC3N(C2C=4C=CC=CC4)CC)SC=5C=CC=CC51.O=C(N)CC[N+]1=C(N=NC=2C=3C=CC=CC3N(C2C=4C=CC=CC4)CC)SC=5C=CC=CC51.Cl[Zn-2](Cl)(Cl)Cl


cas: 85480-94-0
formula: C26H47NO9S
inchikey: JSESQAPMQIYNPC-XXAVUKJNSA-N
norman_susdat_id: NS00066196
pubchem_cid: 119057948
smiles: O=C(O)C(CC(=O)OCCN(C(=O)CCCCCCCC=CCCCCCCCC)CCO)S(=O)(=O)O.OCCN(CCO)CCO.OCCN(CCO)CCO
name:
4-[2-[(2-hydroxyethyl)(1-oxooleyl)amino]ethyl] hydrogen 2-sulphosuccinate, compound with 2,2',2''-nitrilotri[ethanol] (1:2)

inchi:
InChI=1/C26H47NO9S.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)27(18-20-28)19-21-36-25(30)22-23(26(31)32)37(33,34)35;2*8-4-1-7(2-5-9)3-6-10/h9-10,23,28H,2-8,11-22H2,1H3,(H,31,32)(H,33,34,35);2*8-10H,1-6H2


name: 1-hexyldodecane-1,12-diyl didocosanoate
cas: 85480-95-1
dtxsid: DTXSID501006048
formula: C62H122O4
inchikey: OYVAGBUQKNBMFZ-UHFFFAOYSA-N
norman_susdat_id: NS00064973
pubchem_cid: 53422472
smiles: O=C(OCCCCCCCCCCCC(OC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCCCC)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C62H122O4/c1-4-7-10-13-15-17-19-21-23-25-27-29-31-33-35-39-43-47-52-57-61(63)65-59-54-49-45-41-37-38-42-46-51-56-60(55-50-12-9-6-3)66-62(64)58-53-48-44-40-36-34-32-30-28-26-24-22-20-18-16-14-11-8-5-2/h60H,4-59H2,1-3H3


name: trans-4-(1-Oxobutoxy)-1-(1-oxobutyl)-L-proline
cas: 85482-85-5
chemspiderid: 21165001
dtxsid: DTXSID30234699
formula: C13H21N1O5
inchikey: XRFHWHZZTBJRTA-ZJUUUORDSA-N
norman_susdat_id: NS00038954
pubchem_cid: 56843171
smiles: CCCC(=O)OC1CC(N(C1)C(=O)CCC)C(=O)O
inchi:
InChI=1S/C13H21NO5/c1-3-5-11(15)14-8-9(7-10(14)13(17)18)19-12(16)6-4-2/h9-10H,3-8H2,1-2H3,(H,17,18)/t9-,10-/m0/s1


name: Clostebol acetate
cas: 855-19-6
chebiid: CHEBI:81712
chemspiderid: 12762
dtxsid: DTXSID00234702
formula: C21H29Cl1O3
inchikey: XYGMEFJSKQEBTO-KUJXMBTLSA-N
norman_susdat_id: NS00009947
pubchem_cid: 13327
smiles: CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C21H29ClO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1


name: 17ß-hydroxy-5a-androstan-3-one propionate
cas: 855-22-1
dtxsid: DTXSID801006059
formula: C22H34O3
inchikey: XTAARPJDFFXHGH-GRPBBMKTSA-N
norman_susdat_id: NS00042931
pubchem_cid: 13328
smiles: O=C(OC1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C)CC
inchi:
InChI=1/C22H34O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h14,16-19H,4-13H2,1-3H3


name: Phosphine, tris(4-methoxyphenyl)-
cas: 855-38-9
chemspiderid: 63260
dtxsid: DTXSID3061217
formula: C21H21O3P1
inchikey: UYUUAUOYLFIRJG-UHFFFAOYSA-N
norman_susdat_id: NS00038969
pubchem_cid: 70071
smiles: COc1ccc(cc1)P(c1ccc(OC)cc1)c1ccc(OC)cc1
inchi:
InChI=1S/C21H21O3P/c1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21/h4-15H,1-3H3


cas: 85506-30-5
formula: C13H17N5O8S2
inchikey: WZPBZJONDBGPKJ-UHFFFAOYSA-N
norman_susdat_id: NS00092433
smiles: Nc1nc(cs1)C(=NOC(C)(C)C(O)=O)C(=O)NC2C(=O)N(C2C)S(O)(=O)=O
name:
trans-2-[[[1-(2-aminothiazol-4-yl)-2-[(2-methyl-4-oxo-1-sulphoazetidin-3-yl)amino]-2-oxoethylidene]amino]oxy]-2-methylpropionic acid

inchi:
InChI=1/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)


name: Phthalic acid, diundecyl ester, branched and linear
cas: 85507-79-5
chemspiderid: 4678137
dtxsid: DTXSID4029565
formula: C31H52O4
inchikey: JOHNPRHIYSPRSW-UHFFFAOYSA-N
norman_susdat_id: NS00004781
pubchem_cid: NA
smiles: CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCC(CCC)C(CC)CCC
inchi:
InChI=1S/C31H52O4/c1-5-9-10-11-12-13-14-15-16-19-24-34-30(32)28-22-17-18-23-29(28)31(33)35-25-27(21-7-3)26(8-4)20-6-2/h17-18,22-23,26-27H,5-16,19-21,24-25H2,1-4H3


name: Pentachloro-7H-benzimidazo(2,1-a)benz(de)isoquinolin-7-one
cas: 85508-05-0
chemspiderid: 21165006
dtxsid: DTXSID40234706
formula: C18H5Cl5N2O1
inchikey: UUGQSBNOQIHGAU-UHFFFAOYSA-N
norman_susdat_id: NS00038957
pubchem_cid: 56842328
smiles: Clc1c(Cl)c2c3c(c1)c(=O)n1c4ccccc4nc1c3c(Cl)c(Cl)c2Cl
inchi:
InChI=1S/C18H5Cl5N2O/c19-7-5-6-10-11(13(7)20)14(21)16(23)15(22)12(10)17-24-8-3-1-2-4-9(8)25(17)18(6)26/h1-5H


cas: 85508-11-8
formula: C24H23FN8O14S4
inchikey: OXXDFQVBEVNRJM-UHFFFAOYSA-N
norman_susdat_id: NS00092691
name:
2-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphomethyl)-3-pyridyl]azo]-5-[[4-fluoro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulphonic acid

inchi:
InChI=1/C24H23FN8O14S4/c1-3-33-20(34)14(10-48(36,37)38)11(2)19(21(33)35)32-31-16-9-17(50(42,43)44)15(8-18(16)51(45,46)47)27-24-29-22(25)28-23(30-24)26-12-5-4-6-13(7-12)49(39,40)41/h4-9,35H,3,10H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,26,27,28,29,30)

smiles:
O=C4C(/CS(O)(=O)=O)=C(/C)\C(\N=Nc3cc(c(Nc2nc(F)nc(Nc1cccc(c1)S(O)(=O)=O)n2)cc3S(O)(=O)=O)S(O)(=O)=O)=C(\O)N4CC


name: Bis(2-aminoethyl) hexadecyl phosphate
cas: 85508-17-4
dtxsid: DTXSID301006066
formula: C20H45N2O4P
inchikey: CYRYFJMOBJULDQ-UHFFFAOYSA-N
norman_susdat_id: NS00065408
pubchem_cid: 3020763
smiles: O=P(OCCN)(OCCN)OCCCCCCCCCCCCCCCC
inchi:
InChI=1/C20H45N2O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-27(23,25-19-16-21)26-20-17-22/h2-22H2,1H3


name: Bis(2-aminoethyl) octadecyl phosphate
cas: 85508-18-5
chemspiderid: 2287565
dtxsid: DTXSID10234713
formula: C22H49N2O4P1
inchikey: KQMUNPGDNRFCHU-UHFFFAOYSA-N
norman_susdat_id: NS00038963
pubchem_cid: 3020764
smiles: CCCCCCCCCCCCCCCCCCOP(=O)(OCCN)OCCN
inchi:
InChI=1S/C22H49N2O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-29(25,27-21-18-23)28-22-19-24/h2-24H2,1H3


name: Bis(2-aminoethyl) (Z)-octadec-9-enyl phosphate
cas: 85508-19-6
formula: C22H47N2O4P
inchikey: COXVKGMTQARHPB-KTKRTIGZSA-N
norman_susdat_id: NS00064942
pubchem_cid: 20833798
smiles: O=P(OCCN)(OCCN)OCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C22H47N2O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-29(25,27-21-18-23)28-22-19-24/h9-10H,2-8,11-24H2,1H3


name: 1,1'-(Decane-1,10-diyl)bis(2-amino-1,5-dihydro-4H-imidazol-4-one)
cas: 85508-21-0
chemspiderid: 21165010
dtxsid: DTXSID70234714
formula: C16H28N6O2
inchikey: ULIKHNRXJNYEIK-UHFFFAOYSA-N
norman_susdat_id: NS00038964
pubchem_cid: 56842390
smiles: NC1=NC(=O)CN1CCCCCCCCCCN1CC(=O)N=C1N
inchi:
InChI=1S/C16H28N6O2/c17-15-19-13(23)11-21(15)9-7-5-3-1-2-4-6-8-10-22-12-14(24)20-16(22)18/h1-12H2,(H2,17,19,23)(H2,18,20,24)


name: 4-[bis(2-ethylhexyl)amino]-4-oxo-2-butenoic acid
cas: 85508-27-6
formula: C20H37NO3
inchikey: NKMCVFGPISGASH-UHFFFAOYSA-N
norman_susdat_id: NS00065045
pubchem_cid: 3020770
smiles: O=C(O)C=CC(=O)N(CC(CC)CCCC)CC(CC)CCCC
inchi:
InChI=1/C20H37NO3/c1-5-9-11-17(7-3)15-21(19(22)13-14-20(23)24)16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3,(H,23,24)


name: N-(2-((2-Hydroxyethyl)amino)ethyl)-N-stearoylstearamide
cas: 85508-28-7
chemspiderid: 2287571
dtxsid: DTXSID30234715
formula: C40H80N2O3
inchikey: BDVRPSDVVFAIJU-UHFFFAOYSA-N
norman_susdat_id: NS00038965
pubchem_cid: 3020771
smiles: CCCCCCCCCCCCCCCCCC(=O)N(CCNCCO)C(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C40H80N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)42(37-35-41-36-38-43)40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41,43H,3-38H2,1-2H3


name: Carbonic acid, compound with 1-(2-methoxyphenyl)piperazine (1:1)
cas: 85508-33-4
formula: C11H16N2O.CH2O3
inchikey: RMZKVZCHYUVHEA-UHFFFAOYSA-N
norman_susdat_id: NS00093142
smiles: COc1ccccc1N2CCNCC2.OC(=O)O
inchi:
InChI=1/C11H16N2O.CH2O3/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;2-1(3)4/h2-5,12H,6-9H2,1H3;(H2,2,3,4)


name: N-[4-bromo-2-(2-fluorobenzoyl)phenyl]-2-chloroacetamide
cas: 85508-36-7
dtxsid: DTXSID10234718
formula: C15H10BrClFNO2
inchikey: HOQSGKIDIDLTAG-UHFFFAOYSA-N
norman_susdat_id: NS00066265
pubchem_cid: 3020774
smiles: O=C(C=1C=CC=CC1F)C2=CC(Br)=CC=C2NC(=O)CCl
inchi:
InChI=1/C15H10BrClFNO2/c16-9-5-6-13(19-14(20)8-17)11(7-9)15(21)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,19,20)


cas: 85508-39-0
chemspiderid: 21165015
dtxsid: DTXSID70234719
formula: C19H35N1O5
inchikey: UUSXSTJTTPYVOV-UKEPKTAJSA-N
norman_susdat_id: NS00038967
pubchem_cid: 56842393
smiles: CC(C)C1CCC(C)CC1OC(=O)CCNC(=O)C(O)C(C)(C)CO
name:
(1alpha,2beta,5alpha)-5-Methyl-2-(1-methylethyl)cyclohexyl (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninate

inchi:
InChI=1S/C19H35NO5/c1-12(2)14-7-6-13(3)10-15(14)25-16(22)8-9-20-18(24)17(23)19(4,5)11-21/h12-15,17,21,23H,6-11H2,1-5H3,(H,20,24)/t13-,14-,15+,17+/m1/s1


name: N-[2-[(5-nitrothiazol-2-yl)azo]-5-[(phenylsulphonyl)amino]phenyl]acetamide
cas: 85508-40-3
formula: C17H15N6O5S2
inchikey: LMVIHKFPEMITLX-UHFFFAOYSA-N
norman_susdat_id: NS00066266
pubchem_cid: 3020775
smiles: O=C(NC1=CC(=CC=C1N=NC2=NC=C(S2)[N+](=O)[O-])NS(=O)(=O)C=3C=CC=CC3)C
inchi:
InChI=1/C17H14N6O5S2/c1-11(24)19-15-9-12(22-30(27,28)13-5-3-2-4-6-13)7-8-14(15)20-21-17-18-10-16(29-17)23(25)26/h2-10,22H,1H3,(H,19,24)


name: N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-(diallylamino)-4-methoxyphenyl]acetamide
cas: 85508-41-4
formula: C21H23ClN6O6
inchikey: DKEXINVRFGWAKP-UHFFFAOYSA-N
norman_susdat_id: NS00065047
pubchem_cid: 3020776
smiles: O=C(NC=1C=C(C(OC)=CC1N=NC2=C(Cl)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CC=C)CC=C)C
inchi:
InChI=1/C21H21ClN6O6/c1-5-7-26(8-6-2)18-11-16(23-13(3)29)17(12-20(18)34-4)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h5-6,9-12H,1-2,7-8H2,3-4H3,(H,23,29)


name: Flusilazole
cas: 85509-19-9
chebiid: CHEBI:81922
chemspiderid: 66326
dtxsid: DTXSID3024235
formula: C16H15F2N3Si
inchikey: FQKUGOMFVDPBIZ-UHFFFAOYSA-N
norman_susdat_id: NS00098479
pubchem_cid: 73675
smiles: C[Si](Cn1cncn1)(c2ccc(cc2)F)c3ccc(cc3)F
eea_notation: CAS_85509-19-9
inchi:
InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3


name: PK 11195
cas: 85532-75-8
chebiid: CHEBI:73290
chemspiderid: 1305
dtxsid: DTXSID7041097
formula: C21H21Cl1N2O1
inchikey: RAVIZVQZGXBOQO-UHFFFAOYSA-N
norman_susdat_id: NS00015611
pubchem_cid: 1345
smiles: CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl
inchi:
InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3


name: 3-Amino-N,N-dimethyl-4-((2-nitrophenyl)thio)benzenesulphonamide
cas: 85532-99-6
chemspiderid: 2287577
dtxsid: DTXSID20234729
formula: C14H15N3O4S2
inchikey: RPLFTSQDXKCPHC-UHFFFAOYSA-N
norman_susdat_id: NS00038968
pubchem_cid: 3020777
smiles: CN(C)S(=O)(=O)c1cc(N)c(Sc2c(cccc2)[N+](=O)[O-])cc1
inchi:
InChI=1S/C14H15N3O4S2/c1-16(2)23(20,21)10-7-8-13(11(15)9-10)22-14-6-4-3-5-12(14)17(18)19/h3-9H,15H2,1-2H3


cas: 85536-80-7
formula: C24H23FN8O14S4
inchikey: JJPGBNDFPFZVFN-UHFFFAOYSA-J
norman_susdat_id: NS00064870
pubchem_cid: NA
name:
Tetrasodium 2-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphonatomethyl)-3-pyridyl]azo]-5-[[4-fluoro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]benzene-1,4-disulphonate

inchi:
InChI=1/C24H23FN8O14S4.4Na/c1-3-33-20(34)14(10-48(36,37)38)11(2)19(21(33)35)32-31-16-9-17(50(42,43)44)15(8-18(16)51(45,46)47)27-24-29-22(25)28-23(30-24)26-12-5-4-6-13(7-12)49(39,40)41;;;;/h4-9,35H,3,10H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,26,27,28,29,30);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C1C(=C(C(N=NC=2C=C(C(=CC2S(=O)(=O)[O-])NC=3N=C(F)N=C(N3)NC4=CC=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])=C(O)N1CC)C)CS(=O)(=O)[O-]


name: Ethyl ß-ethyl-ß-hydroxy-6-methoxy-a,a-dimethylnaphthalene-2-propionate
cas: 85536-81-8
formula: C20H26O4
inchikey: BGPCDCAZLBBOTJ-UHFFFAOYSA-N
norman_susdat_id: NS00065355
pubchem_cid: 56842447
smiles: O=C(OCC)C(C)(C)C(O)(C1=CC=C2C=C(OC)C=CC2=C1)CC
inchi:
InChI=1/C20H26O4/c1-6-20(22,19(3,4)18(21)24-7-2)16-10-8-15-13-17(23-5)11-9-14(15)12-16/h8-13,22H,6-7H2,1-5H3


name: Ethyl ß-ethylidene-6-methoxy-a,a-dimethylnaphthalene-2-propionate
cas: 85536-82-9
formula: C20H24O3
inchikey: OUGQIXURPUYNAB-UHFFFAOYSA-N
norman_susdat_id: NS00066147
pubchem_cid: NA
smiles: O=C(OCC)C(C(=CC)C1=CC=C2C=C(OC)C=CC2=C1)(C)C
inchi:
InChI=1/C20H24O3/c1-6-18(20(3,4)19(21)23-7-2)16-9-8-15-13-17(22-5)11-10-14(15)12-16/h6,8-13H,7H2,1-5H3


name: 5-bromo-a-[[tert-butylamino]methyl]-7-ethylbenzofuran-2-methanol
cas: 85536-86-3
dtxsid: DTXSID601006091
formula: C16H22BrNO2
inchikey: MXKMWLFIQAWNMD-UHFFFAOYSA-N
norman_susdat_id: NS00064842
pubchem_cid: 11970958
smiles: BrC1=CC=2C=C(OC2C(=C1)CC)C(O)CNC(C)(C)C
inchi:
InChI=1/C16H22BrNO2/c1-5-10-6-12(17)7-11-8-14(20-15(10)11)13(19)9-18-16(2,3)4/h6-8,13,18-19H,5,9H2,1-4H3


cas: 85536-87-4
inchikey: GQYBFALQKPKBPK-UHFFFAOYSA-L
norman_susdat_id: NS00078473
smiles: [Na+].[Na+].CC(=O)Nc1ccc2c(O)c(N=Nc3ccc(cc3)S(=O)(=O)CCOS([O-])(=O)=O)c(cc2c1)S([O-])(=O)=O
name:
7-acetamido-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic acid, sodium salt


name: Sodium m-[[4-[[4-[(2-cyanoethyl)ethylamino]-o-tolyl]azo]-1-naphthyl]azo]benzenesulphonate
cas: 85536-95-4
formula: C28H26N6O3S.Na
inchikey: JXCQTCDWVDTADM-UHFFFAOYSA-M
norman_susdat_id: NS00092418
smiles: [Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc4ccc(N=Nc2ccc(cc2C)N(CC)CCC#N)c3ccccc34
inchi:
InChI=1/C28H26N6O3S.Na/c1-3-34(17-7-16-29)22-12-13-26(20(2)18-22)31-33-28-15-14-27(24-10-4-5-11-25(24)28)32-30-21-8-6-9-23(19-21)38(35,36)37;/h4-6,8-15,18-19H,3,7,17H2,1-2H3,(H,35,36,37);/q;+1/p-1


cas: 85536-96-5
formula: C24H23N5O7S.Na
inchikey: JFFMNYQSRWUVLH-UHFFFAOYSA-M
norman_susdat_id: NS00092419
smiles: [Na+].COc3cc(ccc3NC(=O)C(N=Nc2ccc(N=Nc1ccc(cc1)S([O-])(=O)=O)cc2)C(C)=O)OC
name:
Sodium 4-[[4-[[1-[[(2,4-dimethoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]azo]benzenesulphonate

inchi:
InChI=1/C24H23N5O7S.Na/c1-15(30)23(24(31)25-21-13-10-19(35-2)14-22(21)36-3)29-28-17-6-4-16(5-7-17)26-27-18-8-11-20(12-9-18)37(32,33)34;/h4-14,23H,1-3H3,(H,25,31)(H,32,33,34);/q;+1/p-1


name: (S)-1-(4-Chlorobenzoyl)-N,N-dimethyl-5-oxopyrrolidine-2-carboxamide
cas: 85551-25-3
chemspiderid: 2287581
dtxsid: DTXSID90234736
formula: C14H15Cl1N2O3
inchikey: UTVSYBBRNINNRF-NSHDSACASA-N
norman_susdat_id: NS00038971
pubchem_cid: 21149651
smiles: CN(C)C(=O)C1CCC(=O)N1C(=O)c1ccc(Cl)cc1
inchi:
InChI=1S/C14H15ClN2O3/c1-16(2)14(20)11-7-8-12(18)17(11)13(19)9-3-5-10(15)6-4-9/h3-6,11H,7-8H2,1-2H3/t11-/m0/s1


name: (S)-N,N-Dibutyl-5-oxopyrrolidine-2-carboxamide
cas: 85551-26-4
chemspiderid: 231942
dtxsid: DTXSID50234737
formula: C13H24N2O2
inchikey: NDGMGZDZOXTYQZ-NSHDSACASA-N
norman_susdat_id: NS00038972
pubchem_cid: 21116955
smiles: CCCCN(CCCC)C(=O)C1CCC(=O)N1
inchi:
InChI=1S/C13H24N2O2/c1-3-5-9-15(10-6-4-2)13(17)11-7-8-12(16)14-11/h11H,3-10H2,1-2H3,(H,14,16)/t11-/m0/s1


name: N,N-Dicyclohexylbenzothiazole-2-sulfonamide
cas: 85554-77-4
chemspiderid: 2287583
dtxsid: DTXSID00234742
formula: C19H26N2O2S2
inchikey: CMKDPNYJYNDKQH-UHFFFAOYSA-N
norman_susdat_id: NS00038976
pubchem_cid: 3020792
smiles: O=S(=O)(N(C1CCCCC1)C1CCCCC1)c1nc2ccccc2s1
inchi:
InChI=1S/C19H26N2O2S2/c22-25(23,19-20-17-13-7-8-14-18(17)24-19)21(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2


name: Adipic acid, compound with N,N'-diphenylguanidine (1:2)
cas: 85554-79-6
formula: C13H13N3.1/2C6H10O4
inchikey: DJBLRNOUWOERKF-UHFFFAOYSA-N
norman_susdat_id: NS00092422
smiles: OC(=O)CCCCC(=O)O.N=C(Nc1ccccc1)Nc2ccccc2.N=C(Nc3ccccc3)Nc4ccccc4
inchi:
InChI=1/2C13H13N3.C6H10O4/c2*14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;7-5(8)3-1-2-4-6(9)10/h2*1-10H,(H3,14,15,16);1-4H2,(H,7,8)(H,9,10)


name: 4,6-diallyloxy-N-octyl-1,3,5-triazin-2-amine
cas: 85557-19-3
dtxsid: DTXSID40234746
formula: C17H28N4O2
inchikey: MDUQWAAJFNGFFY-UHFFFAOYSA-N
norman_susdat_id: NS00066072
pubchem_cid: 16205625
smiles: N=1C(=NC(=NC1OCC=C)NCCCCCCCC)OCC=C
inchi:
InChI=1/C17H28N4O2/c1-4-7-8-9-10-11-12-18-15-19-16(22-13-5-2)21-17(20-15)23-14-6-3/h5-6H,2-4,7-14H2,1H3,(H,18,19,20,21)


name: Hexadecyl(2-hydroxyethyl)dimethylammonium dihydrogen phosphate
cas: 85563-48-0
formula: C20H44NO.H2O4P
inchikey: SGZVXLFVBKDMJH-UHFFFAOYSA-K
norman_susdat_id: NS00092336
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CCO.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C20H44NO.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,3)19-20-22;1-5(2,3)4/h22H,4-20H2,1-3H3;(H3,1,2,3,4)/q+1;/p-3


cas: 85567-19-7
formula: C128H238N32O12
inchikey: ZSPIQTVTZPBIJK-UHFFFAOYSA-N
norman_susdat_id: NS00066776
pubchem_cid: 90476792
name:
Butanedioic acid, bis[2-[[4,6-bis[(3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl][2-[[4,6-bis[(3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]ethyl] ester

inchi:
InChI=1/C128H238N32O12/c1-113(2)75-91(76-114(3,4)143-113)153(53-41-65-163-33)105-131-101(132-106(139-105)154(54-42-66-164-34)92-77-115(5,6)144-116(7,8)78-92)129-51-61-151(103-135-109(157(57-45-69-167-37)95-83-121(17,18)147-122(19,20)84-95)141-110(136-103)158(58-46-70-168-38)96-85-123(21,22)148-124(23,24)86-96)63-73-171-99(161)49-50-100(162)172-74-64-152(104-137-111(159(59-47-71-169-39)97-87-125(25,26)149-126(27,28)88-97)142-112(138-104)160(60-48-72-170-40)98-89-127(29,30)150-128(31,32)90-98)62-52-130-102-133-107(155(55-43-67-165-35)93-79-117(9,10)145-118(11,12)80-93)140-108(134-102)156(56-44-68-166-36)94-81-119(13,14)146-120(15,16)82-94/h91-98,143-150H,41-90H2,1-40H3,(H,129,131,132,139)(H,130,133,134,140)

smiles:
O=C(OCCN(C=1N=C(N=C(N1)N(CCCOC)C2CC(NC(C)(C)C2)(C)C)N(CCCOC)C3CC(NC(C)(C)C3)(C)C)CCNC=4N=C(N=C(N4)N(CCCOC)C5CC(NC(C)(C)C5)(C)C)N(CCCOC)C6CC(NC(C)(C)C6)(C)C)CCC(=O)OCCN(C=7N=C(N=C(N7)N(CCCOC)C8CC(NC(C)(C)C8)(C)C)N(CCCOC)C9CC(NC(C)(C)C9)(C)C)CCNC=%10N=C(N=C(N%10)N(CCCOC)C%11CC(NC(C)(C)C%11)(C)C)N(CCCOC)C%12CC(NC(C)(C)C%12)(C)C


cas: 85567-20-0
dtxsid: DTXSID80234760
formula: C62H118N16O5
inchikey: WVAQUYPUMUIAAE-UHFFFAOYSA-N
norman_susdat_id: NS00064789
pubchem_cid: 56842648
name:
Ethanol, 2-[[4,6-bis[(3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl][2-[[4,6-bis[(3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]-

inchi:
InChI=1/C62H118N16O5/c1-55(2)37-45(38-56(3,4)70-55)75(26-21-33-80-17)51-64-49(65-52(68-51)76(27-22-34-81-18)46-39-57(5,6)71-58(7,8)40-46)63-25-30-74(31-32-79)50-66-53(77(28-23-35-82-19)47-41-59(9,10)72-60(11,12)42-47)69-54(67-50)78(29-24-36-83-20)48-43-61(13,14)73-62(15,16)44-48/h45-48,70-73,79H,21-44H2,1-20H3,(H,63,64,65,68)

smiles:
OCCN(C=1N=C(N=C(N1)N(CCCOC)C2CC(NC(C)(C)C2)(C)C)N(CCCOC)C3CC(NC(C)(C)C3)(C)C)CCNC=4N=C(N=C(N4)N(CCCOC)C5CC(NC(C)(C)C5)(C)C)N(CCCOC)C6CC(NC(C)(C)C6)(C)C


name: N,N-Bis(2-aminoethyl)stearamide
cas: 85567-35-7
chemspiderid: 2287590
dtxsid: DTXSID80234765
formula: C22H47N3O1
inchikey: GXMVXAAQVWCSRQ-UHFFFAOYSA-N
norman_susdat_id: NS00038983
pubchem_cid: 3020800
smiles: CCCCCCCCCCCCCCCCCC(=O)N(CCN)CCN
inchi:
InChI=1S/C22H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25(20-18-23)21-19-24/h2-21,23-24H2,1H3


name: Sodium bis(2-hydroxyethyl)[2-(sulphooxy)ethyl]sulphonium sulphate
cas: 85567-39-1
dtxsid: DTXSID00234767
formula: C6H15O6S2
inchikey: VDZVLGOXDIVUAS-UHFFFAOYSA-M
norman_susdat_id: NS00064807
pubchem_cid: 3020802
smiles: [Na+].O=S(=O)([O-])[O-].O=S(=O)(O)OCC[S+](CCO)CCO
inchi:
InChI=1/C6H14O6S2.Na.H2O4S/c7-1-4-13(5-2-8)6-3-12-14(9,10)11;;1-5(2,3)4/h7-8H,1-6H2;;(H2,1,2,3,4)/q;+1;/p-1


name: 2,3-bis(2,5-dimethylphenoxy)propan-1-ol
cas: 85567-40-4
dtxsid: DTXSID801006142
formula: C19H24O3
inchikey: NGOWNHSGMNQALN-UHFFFAOYSA-N
norman_susdat_id: NS00064808
pubchem_cid: 3020804
smiles: OCC(OC1=CC(=CC=C1C)C)COC2=CC(=CC=C2C)C
inchi:
InChI=1/C19H24O3/c1-13-5-7-15(3)18(9-13)21-12-17(11-20)22-19-10-14(2)6-8-16(19)4/h5-10,17,20H,11-12H2,1-4H3


name: 4-chloro-N-(2,2,2-trifluoroethyl)-5-sulphamoylanthranilic acid
cas: 85567-44-8
dtxsid: DTXSID90234771
formula: C9H8ClF3N2O4S
inchikey: WSMGPMXMHGJUPZ-UHFFFAOYSA-N
norman_susdat_id: NS00064779
pubchem_cid: 3020806
smiles: O=C(O)C1=CC(=C(Cl)C=C1NCC(F)(F)F)S(=O)(=O)N
inchi:
InChI=1/C9H8ClF3N2O4S/c10-5-2-6(15-3-9(11,12)13)4(8(16)17)1-7(5)20(14,18)19/h1-2,15H,3H2,(H,16,17)(H2,14,18,19)


name: 3-amino-1,2-dimethyl-7-(dimethylamino)-5-(3-sulphonatophenyl)phenazinium
cas: 85567-47-1
dtxsid: DTXSID70234774
formula: C22H23N4O3S
inchikey: OACXLMJLRGRIFA-UHFFFAOYSA-N
norman_susdat_id: NS00064780
pubchem_cid: 25079316
smiles: O=S(=O)([O-])C1=CC=CC(=C1)[N+]=2C=3C=C(C=CC3N=C4C2C=C(N)C(=C4C)C)N(C)C
inchi:
InChI=1/C22H22N4O3S/c1-13-14(2)22-21(12-18(13)23)26(16-6-5-7-17(10-16)30(27,28)29)20-11-15(25(3)4)8-9-19(20)24-22/h5-12,23H,1-4H3,(H,27,28,29)


name: [2,3-dichloro-4-(1H-tetrazol-5-ylmethoxy)phenyl]-2-thienylmethanone, potassium salt
cas: 85567-48-2
formula: C13H8Cl2N4O2S.K
inchikey: ZBYDHBILQAXIFH-UHFFFAOYSA-N
norman_susdat_id: NS00092334
smiles: [K+].Clc1c(OCc2nnn[nH]2)ccc(C(=O)c3cccs3)c1Cl
inchi:
InChI=1/C13H8Cl2N4O2S.K/c14-11-7(13(20)9-2-1-5-22-9)3-4-8(12(11)15)21-6-10-16-18-19-17-10;/h1-5H,6H2,(H,16,17,18,19);/q;+1


name: Choline hydrogen L-glutamate
cas: 85567-49-3
formula: C5H14NO.C5H8NO4
inchikey: ARKFKCBERVQXGI-DFWYDOINSA-L
norman_susdat_id: NS00092550
smiles: C[N+](C)(C)CCO.N[C@@H](CCC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C5H9NO4.C5H14NO/c6-3(5(9)10)1-2-4(7)8;1-6(2,3)4-5-7/h3H,1-2,6H2,(H,7,8)(H,9,10);7H,4-5H2,1-3H3/q;+1/p-2


name: 5-carbamoyl-2-methoxybenzenediazonium tetrachlorozincate (2:1)
cas: 85567-53-9
formula: C8H8N3O2.1/2Cl4Zn
inchikey: SPEHRSOGEBKZMJ-UHFFFAOYSA-L
norman_susdat_id: NS00092552
smiles: COc1ccc(cc1[N+]#N)C(=O)N.COc2ccc(cc2[N+]#N)C(=O)N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C8H7N3O2.4ClH.Zn/c2*1-13-7-3-2-5(8(9)12)4-6(7)11-10;;;;;/h2*2-4H,1H3,(H-,9,12);4*1H;/q;;;;;;+2/p-2/r2C8H7N3O2.Cl4Zn/c2*1-13-7-3-2-5(8(9)12)4-6(7)11-10;1-5(2,3)4/h2*2-4H,1H3,(H-,9,12);/q;;-2/p+2


name: 5-benzoylamino-2,4-dimethoxybenzenediazonium tetrachlorozincate (2:1)
cas: 85567-54-0
formula: C15H14N3O3.1/2Cl4Zn
inchikey: LHMVTTJFAIZOEW-UHFFFAOYSA-L
norman_susdat_id: NS00092553
smiles: COc1cc(OC)c(cc1NC(=O)c2ccccc2)[N+]#N.COc3cc(OC)c(cc3NC(=O)c4ccccc4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C15H13N3O3.4ClH.Zn/c2*1-20-13-9-14(21-2)12(18-16)8-11(13)17-15(19)10-6-4-3-5-7-10;;;;;/h2*3-9H,1-2H3;4*1H;/q;;;;;;+2/p-2/r2C15H13N3O3.Cl4Zn/c2*1-20-13-9-14(21-2)12(18-16)8-11(13)17-15(19)10-6-4-3-5-7-10;1-5(2,3)4/h2*3-9H,1-2H3;/q;;-2/p+2


name: 2-[(2-chloro-4-nitrophenyl)azo]-5-methoxy-4-methylbenzenediazonium tetrachlorozincate (2:1)
cas: 85567-55-1
dtxsid: DTXSID70234779
formula: C14H12ClN5O3
inchikey: LICSTXWHMNVWOS-UHFFFAOYSA-J
norman_susdat_id: NS00065215
pubchem_cid: 56842770
inchi:
InChI=1/2C14H11ClN5O3.4ClH.Zn/c2*1-8-5-13(12(17-16)7-14(8)23-2)19-18-11-4-3-9(20(21)22)6-10(11)15;;;;;/h2*3-7H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H11ClN5O3.Cl4Zn/c2*1-8-5-13(12(17-16)7-14(8)23-2)19-18-11-4-3-9(20(21)22)6-10(11)15;1-5(2,3)4/h2*3-7H,1-2H3;/q2*+1;-2

smiles:
N#[N+]C=1C=C(OC)C(=CC1N=NC2=CC=C(C=C2Cl)[N+](=O)[O-])C.N#[N+]C=1C=C(OC)C(=CC1N=NC2=CC=C(C=C2Cl)[N+](=O)[O-])C.Cl[Zn-2](Cl)(Cl)Cl


name: Dibutylnaphthalene-2-sulphonic acid
cas: 85567-57-3
formula: C18H24O3S
inchikey: WQAHBQDXMLKOGT-UHFFFAOYSA-N
norman_susdat_id: NS00092270
smiles: CCCCc1cc2ccccc2c(CCCC)c1S(=O)(=O)O
inchi:
InChI=1/C18H24O3S/c1-3-5-9-15-13-14-10-7-8-12-16(14)17(11-6-4-2)18(15)22(19,20)21/h7-8,10,12-13H,3-6,9,11H2,1-2H3,(H,19,20,21)


name: Butylnaphthalene-2-sulphonic acid
cas: 85567-58-4
dtxsid: DTXSID501006143
formula: C14H16O3S
inchikey: KGRKBAKQGAXOFO-UHFFFAOYSA-N
norman_susdat_id: NS00064670
pubchem_cid: 412155
smiles: O=S(=O)(O)C=1C=CC=2C=CC=CC2C1CCCC
inchi:
InChI=1/C14H16O3S/c1-2-3-7-13-12-8-5-4-6-11(12)9-10-14(13)18(15,16)17/h4-6,8-10H,2-3,7H2,1H3,(H,15,16,17)


name: 1,3-Bis(2,-dimethylphenoxy)propan-2-ol
cas: 85567-60-8
chemspiderid: 32696675
dtxsid: DTXSID80234780
formula: C19H24O3
inchikey: XDZJQSLWUBSVMJ-UHFFFAOYSA-N
norman_susdat_id: NS00038986
pubchem_cid: 56841461
smiles: Cc1c(C)c(OCC(O)COc2cccc(C)c2C)ccc1
inchi:
InChI=1S/C19H24O3/c1-13-7-5-9-18(15(13)3)21-11-17(20)12-22-19-10-6-8-14(2)16(19)4/h5-10,17,20H,11-12H2,1-4H3


name: Sodium hydrogen 4-[bis(2-ethylhexyl)amino]-4-oxosulphonatobutyrate
cas: 85567-61-9
dtxsid: DTXSID201006144
formula: C20H39NO6S
inchikey: GADMEWHLDPQKAA-UHFFFAOYSA-L
norman_susdat_id: NS00065967
pubchem_cid: NA
smiles: [Na+].O=C(N(CC(CC)CCCC)CC(CC)CCCC)CC(C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C20H39NO6S.Na/c1-5-9-11-16(7-3)14-21(15-17(8-4)12-10-6-2)19(22)13-18(20(23)24)28(25,26)27;/h16-18H,5-15H2,1-4H3,(H,23,24)(H,25,26,27);/q;+1/p-2


name: Ditridecylbenzene
cas: 85578-62-7
dtxsid: DTXSID001006148
formula: C32H58
inchikey: PODLNLIJRFYBJK-UHFFFAOYSA-N
norman_susdat_id: NS00064781
pubchem_cid: 3020814
smiles: C=1C=CC(=C(C1)CCCCCCCCCCCCC)CCCCCCCCCCCCC
inchi:
InChI=1/C32H58/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-29-25-26-30-32(31)28-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,29-30H,3-24,27-28H2,1-2H3


name: Ditetradecylbenzene
cas: 85578-64-9
dtxsid: DTXSID701006149
formula: C34H62
inchikey: URDDUZADOOBXOJ-UHFFFAOYSA-N
norman_susdat_id: NS00064602
pubchem_cid: 3020815
smiles: C=1C=CC(=C(C1)CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
inchi:
InChI=1/C34H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-33-31-27-28-32-34(33)30-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-28,31-32H,3-26,29-30H2,1-2H3


name: Dipentadecylbenzene
cas: 85578-65-0
dtxsid: DTXSID001006150
formula: C36H66
inchikey: BZKDJNHPAAEOKS-UHFFFAOYSA-N
norman_susdat_id: NS00064603
pubchem_cid: 3020816
smiles: C=1C=CC(=C(C1)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C36H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-33-29-30-34-36(35)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34H,3-28,31-32H2,1-2H3


name: L-histidine mono[3-(1H-imidazol-4-yl)acrylate]
cas: 85586-47-6
formula: C6H9N3O2.C6H6N2O2
inchikey: KJXYHPVSKYVDPW-OSRGESDQSA-N
norman_susdat_id: NS00092252
smiles: N[C@@H](Cc1c[nH]cn1)C(=O)O.OC(=O)\C=C\c2cnc[nH]2
inchi:
InChI=1/C6H9N3O2.C6H6N2O2/c7-5(6(10)11)1-4-2-8-3-9-4;9-6(10)2-1-5-3-7-4-8-5/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1-4H,(H,7,8)(H,9,10)


name: 4-(10H-Phenothiazin-10-ylmethyl)-2,6-xylenol
cas: 85586-49-8
chemspiderid: 26556510
dtxsid: DTXSID90234791
formula: C21H19N1O1S1
inchikey: BTQDOCBNRULPIM-UHFFFAOYSA-N
norman_susdat_id: NS00038988
pubchem_cid: 53426123
smiles: Cc1cc(CN2c3ccccc3Sc3ccccc23)cc(C)c1O
inchi:
InChI=1S/C21H19NOS/c1-14-11-16(12-15(2)21(14)23)13-22-17-7-3-5-9-19(17)24-20-10-6-4-8-18(20)22/h3-12,23H,13H2,1-2H3


name: 2-[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenoxy]-1,3,2-dioxaphosphorinane-5,5-dimethanol
cas: 85586-50-1
dtxsid: DTXSID50234792
formula: C20H25O6P
inchikey: WMGOCXMOIUWRFI-UHFFFAOYSA-N
norman_susdat_id: NS00064626
pubchem_cid: 56842835
smiles: OC1=CC=C(C=C1)C(C2=CC=C(OP3OCC(CO)(CO)CO3)C=C2)(C)C
inchi:
InChI=1/C20H25O6P/c1-19(2,15-3-7-17(23)8-4-15)16-5-9-18(10-6-16)26-27-24-13-20(11-21,12-22)14-25-27/h3-10,21-23H,11-14H2,1-2H3


cas: 85586-51-2
formula: C51H70O8P2
inchikey: VGKAMLULXGIVHV-UHFFFAOYSA-N
norman_susdat_id: NS00064529
pubchem_cid: 56842887
name:
4,4'-[2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-diylbis[oxy[3-tert-butyl-4,1-phenylene]isopropylidene]]bis[2-tert-butylphenol]

inchi:
InChI=1/C51H70O8P2/c1-45(2,3)37-25-33(17-21-41(37)52)49(13,14)35-19-23-43(39(27-35)47(7,8)9)58-60-54-29-51(30-55-60)31-56-61(57-32-51)59-44-24-20-36(28-40(44)48(10,11)12)50(15,16)34-18-22-42(53)38(26-34)46(4,5)6/h17-28,52-53H,29-32H2,1-16H3

smiles:
OC1=CC=C(C=C1C(C)(C)C)C(C2=CC=C(OP3OCC4(CO3)COP(OC5=CC=C(C=C5C(C)(C)C)C(C6=CC=C(O)C(=C6)C(C)(C)C)(C)C)OC4)C(=C2)C(C)(C)C)(C)C


name: 4,4'-[iminobis[4,1-phenylene(1-methylethylidene)]]bisphenol
cas: 85586-53-4
dtxsid: DTXSID00897412
formula: C30H31NO2
inchikey: ZCCBXDNTCAADDD-UHFFFAOYSA-N
norman_susdat_id: NS00065818
pubchem_cid: 93483586
smiles: OC1=CC=C(C=C1)C(C2=CC=C(C=C2)NC3=CC=C(C=C3)C(C4=CC=C(O)C=C4)(C)C)(C)C
inchi:
InChI=1/C30H31NO2/c1-29(2,23-9-17-27(32)18-10-23)21-5-13-25(14-6-21)31-26-15-7-22(8-16-26)30(3,4)24-11-19-28(33)20-12-24/h5-20,31-33H,1-4H3


name: 4-((4-Aminocyclohexyl)methyl)-o-toluidine
cas: 85586-57-8
chemspiderid: 2287609
dtxsid: DTXSID70234794
formula: C14H22N2
inchikey: VBNMFUUHIPHYTG-UHFFFAOYSA-N
norman_susdat_id: NS00038990
pubchem_cid: 3020821
smiles: Cc1c(N)ccc(CC2CCC(N)CC2)c1
inchi:
InChI=1S/C14H22N2/c1-10-8-12(4-7-14(10)16)9-11-2-5-13(15)6-3-11/h4,7-8,11,13H,2-3,5-6,9,15-16H2,1H3/t11-,13+


cas: 85586-65-8
dtxsid: DTXSID10234798
formula: C24H51BO15
inchikey: IVGSDRZOVZCWLB-UHFFFAOYSA-N
norman_susdat_id: NS00065846
pubchem_cid: 44151752
smiles: OCCOCCOCCOCCOB(OCCOCCOCCOCCO)OCCOCCOCCOCCO
name:
13-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-3,6,9,12,14,17,20,23-octaoxa-13-borapentacosane-1,25-diol

inchi:
InChI=1/C24H51BO15/c26-1-4-29-7-10-32-13-16-35-19-22-38-25(39-23-20-36-17-14-33-11-8-30-5-2-27)40-24-21-37-18-15-34-12-9-31-6-3-28/h26-28H,1-24H2


name: (2-oxo-1,2-diphenylethoxy)methyl dodecane-1-sulphonate
cas: 85586-69-2
dtxsid: DTXSID701006163
formula: C27H38O5S
inchikey: HWGDUDVARBKUGF-UHFFFAOYSA-N
norman_susdat_id: NS00064548
pubchem_cid: 6366084
smiles: O=C(C=1C=CC=CC1)C(OCOS(=O)(=O)CCCCCCCCCCCC)C=2C=CC=CC2
inchi:
InChI=1/C27H38O5S/c1-2-3-4-5-6-7-8-9-10-17-22-33(29,30)32-23-31-27(25-20-15-12-16-21-25)26(28)24-18-13-11-14-19-24/h11-16,18-21,27H,2-10,17,22-23H2,1H3


name: 2,6-Bis(1-methyl-1-phenylethyl)-4-nonylphenol
cas: 85586-70-5
chemspiderid: 2287617
dtxsid: DTXSID70234799
formula: C33H44O1
inchikey: SJNUIPWTKYVVGI-UHFFFAOYSA-N
norman_susdat_id: NS00038994
pubchem_cid: 3020831
smiles: CCCCCCCCCc1cc(c(O)c(c1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
inchi:
InChI=1S/C33H44O/c1-6-7-8-9-10-11-14-19-26-24-29(32(2,3)27-20-15-12-16-21-27)31(34)30(25-26)33(4,5)28-22-17-13-18-23-28/h12-13,15-18,20-25,34H,6-11,14,19H2,1-5H3


name: Sodium 1-ethyl 2-[[4-(6-methyl-2,6'-bibenzothiazol-2'-yl)-2-sulphonatophenyl]azo]acetoacetate
cas: 85586-71-6
formula: C27H22N4O6S3
inchikey: BOJRDSULPNTWOW-UHFFFAOYSA-M
norman_susdat_id: NS00064549
pubchem_cid: NA
smiles: [Na+].O=C(OCC)CC(=O)CN=NC1=CC=C(C=C1S(=O)(=O)[O-])C2=NC3=CC=C(C=C3S2)C4=NC=5C=CC(=CC5S4)C
inchi:
InChI=1/C27H22N4O6S3.Na/c1-3-37-25(33)13-18(32)14-28-31-21-9-6-17(12-24(21)40(34,35)36)27-30-20-8-5-16(11-23(20)39-27)26-29-19-7-4-15(2)10-22(19)38-26;/h4-12H,3,13-14H2,1-2H3,(H,34,35,36);/q;+1/p-1


cas: 85586-74-9
chemspiderid: 21165048
dtxsid: DTXSID80234801
formula: C60H68N6O2
inchikey: LCQPRJPZUHHSIY-UHFFFAOYSA-N
norman_susdat_id: NS00038996
pubchem_cid: 44150833
name:
4,4'-(1,4-Phenylenebis(methylene(ethylimino)))bis(alpha,alpha-bis(4-(dimethylamino)phenyl)-o-xylene-alpha-ol)

inchi:
InChI=1S/C60H68N6O2/c1-41(2)65(55-35-37-57(43(5)39-55)59(67,45-15-23-49(24-16-45)61(7)8)46-17-25-50(26-18-46)62(9)10)53-31-33-54(34-32-53)66(42(3)4)56-36-38-58(44(6)40-56)60(68,47-19-27-51(28-20-47)63(11)12)48-21-29-52(30-22-48)64(13)14/h15-40,67-68H,1,3H2,2,4-14H3

smiles:
CN(C)c1ccc(cc1)C(O)(c1ccc(cc1)N(C)C)c1c(C)cc(cc1)N(C(=C)C)c1ccc(cc1)N(C(=C)C)c1cc(C)c(cc1)C(O)(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C


cas: 85586-75-0
chemspiderid: 21165049
dtxsid: DTXSID40234802
formula: C58H64N6O2
inchikey: CLQRKSYGFUWHML-UHFFFAOYSA-N
norman_susdat_id: NS00038997
pubchem_cid: 44146935
name:
4,4'-(1,4-Phenylenebis(methylene(ethylimino)))bis(alpha,alpha-bis(4-(dimethylamino)phenyl)benzyl) alcohol

inchi:
InChI=1S/C58H64N6O2/c1-41(2)63(53-33-21-47(22-34-53)57(65,43-13-25-49(26-14-43)59(5)6)44-15-27-50(28-16-44)60(7)8)55-37-39-56(40-38-55)64(42(3)4)54-35-23-48(24-36-54)58(66,45-17-29-51(30-18-45)61(9)10)46-19-31-52(32-20-46)62(11)12/h13-40,65-66H,1,3H2,2,4-12H3

smiles:
CN(C)c1ccc(cc1)C(O)(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C(=C)C)c1ccc(cc1)N(C(=C)C)c1ccc(cc1)C(O)(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C


cas: 85586-77-2
formula: C28H21Cl2N9O12S4
inchikey: NYPSNPPQIZWIMX-UHFFFAOYSA-K
norman_susdat_id: NS00064551
pubchem_cid: 135755713
name:
Trisodium 3-[[4-(allylsulphonyl)phenyl]azo]-4-amino-6-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C28H21Cl2N9O12S4.3Na/c1-2-9-52(41,42)16-6-3-14(4-7-16)36-38-23-19(54(46,47)48)10-13-11-20(55(49,50)51)24(25(40)21(13)22(23)31)39-37-17-12-15(5-8-18(17)53(43,44)45)32-28-34-26(29)33-27(30)35-28;;;/h2-8,10-12,40H,1,9,31H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,32,33,34,35);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1N=NC2=C(O)C=3C(C=C2S(=O)(=O)[O-])=CC(=C(N=NC4=CC=C(C=C4)S(=O)(=O)CC=C)C3N)S(=O)(=O)[O-])NC=5N=C(Cl)N=C(Cl)N5


cas: 85586-79-4
formula: C29H20ClN9O12S4
inchikey: ADKNJTIHAWDJKQ-UHFFFAOYSA-J
norman_susdat_id: NS00064654
pubchem_cid: NA
name:
Tetrasodium 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-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)32-21-6-7-23(19-11-14(52(40,41)42)1-4-17(19)21)37-36-22-8-9-24(20-12-15(53(43,44)45)2-5-18(20)22)38-39-25-13-16(54(46,47)48)3-10-26(25)55(49,50)51;;;;/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=NC3=CC=C(NC=4N=C(Cl)N=C(N4)N)C=5C=CC(=CC35)S(=O)(=O)[O-])C=6C=CC(=CC26)S(=O)(=O)[O-])=C1)S(=O)(=O)[O-]


cas: 85586-80-7
formula: C29H20ClN9O12S4
inchikey: ZARJTTAIMXRCED-UHFFFAOYSA-J
norman_susdat_id: NS00065079
pubchem_cid: NA
name:
Tetrasodium 2-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-6-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)32-21-6-7-22(17-4-1-14(11-19(17)21)52(40,41)42)36-37-23-8-9-24(20-12-15(53(43,44)45)2-5-18(20)23)38-39-25-13-16(54(46,47)48)3-10-26(25)55(49,50)51;;;;/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=NC3=CC=C(NC=4N=C(Cl)N=C(N4)N)C=5C=C(C=CC35)S(=O)(=O)[O-])C=6C=CC(=CC26)S(=O)(=O)[O-])=C1)S(=O)(=O)[O-]


name: N,N'-(2,2-dimethylpropane-1,3-diyl)bis(docosanamide) monoacetate
cas: 85586-82-9
dtxsid: DTXSID101006165
formula: C49H98N2O2
inchikey: CCVGDNGECFKWIG-UHFFFAOYSA-N
norman_susdat_id: NS00064655
pubchem_cid: 44146093
smiles: O=C(O)C.O=C(NCC(C)(C)CNC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C49H98N2O2.C2H4O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-47(52)50-45-49(3,4)46-51-48(53)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-2(3)4/h5-46H2,1-4H3,(H,50,52)(H,51,53);1H3,(H,3,4)


name: Formic acid, compound with N,N'-(iminodipropane-3,1-diyl)bis[stearamide] (1:1)
cas: 85586-83-0
formula: C42H85N3O2.CH2O2
inchikey: KHKFVBCZTUQUAV-UHFFFAOYSA-N
norman_susdat_id: NS00092219
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCNC(=O)CCCCCCCCCCCCCCCCC.OC=O
inchi:
InChI=1/C42H85N3O2.CH2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41(46)44-39-33-37-43-38-34-40-45-42(47)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;2-1-3/h43H,3-40H2,1-2H3,(H,44,46)(H,45,47);1H,(H,2,3)


name: Diammonium 4,4'-[1,3-phenylenebis[azo(4,6-diamino-3,1-phenylene)azo]]bis(benzenesulphonate)
cas: 85587-35-5
formula: C30H26N12O6S2.2H3N
inchikey: YNFWHCCJLKKICU-UHFFFAOYSA-N
norman_susdat_id: NS00092529
inchi:
InChI=1/C30H26N12O6S2.2H3N/c31-23-13-25(33)29(15-27(23)39-35-17-4-8-21(9-5-17)49(43,44)45)41-37-19-2-1-3-20(12-19)38-42-30-16-28(24(32)14-26(30)34)40-36-18-6-10-22(11-7-18)50(46,47)48;;/h1-16H,31-34H2,(H,43,44,45)(H,46,47,48);2*1H3

smiles:
[NH4+].[NH4+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc5cc(N=Nc4cccc(N=Nc3cc(N=Nc2ccc(cc2)S([O-])(=O)=O)c(N)cc3N)c4)c(N)cc5N


name: Calcium methylsilanetriolate(2:3)
cas: 85588-11-0
formula: CH6O3Si.3/2Ca
inchikey: ITIDHXGTBIJXMZ-UHFFFAOYSA-N
norman_susdat_id: NS00092257
smiles: [CaH2].[CaH2].C[Si]([O-])([O-])[O-].C[Si]([O-])([O-])[O-].C[Si]([O-])([O-])[O-]
inchi:
InChI=1/3CH3O3Si.2Ca.4H/c3*1-5(2,3)4;;;;;;/h3*1H3;;;;;;/q3*-3;2*+2;;;;/r3CH3O3Si.2CaH2/c3*1-5(2,3)4;;/h3*1H3;2*1H2/q3*-3;2*+2


cas: 85600-80-2
dtxsid: DTXSID70882835
norman_susdat_id: NS00111333
name:
Ethanesulfonic acid, 2-[1-[difluoro[(trifluoroethenyl)oxymethyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-, sodium salt polymer with tetrafluoroethene


cas: 85605-01-2
formula: C21H27ClN6O7
inchikey: LKGQHTNNXWRKPS-UHFFFAOYSA-N
norman_susdat_id: NS00065938
pubchem_cid: 3020834
smiles: O=C(NC=1C=C(NC(C)CC)C(OCCOC)=CC1N=NC2=C(Cl)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C
name:
N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-4-(2-methoxyethoxy)-5-[(1-methylpropyl)amino]phenyl]acetamide

inchi:
InChI=1/C21H25ClN6O7/c1-5-12(2)23-18-10-16(24-13(3)29)17(11-20(18)35-7-6-34-4)25-26-21-15(22)8-14(27(30)31)9-19(21)28(32)33/h8-12,23H,5-7H2,1-4H3,(H,24,29)


cas: 85605-12-5
formula: C16H13ClN4O7S2
inchikey: UBBVWJHXZPOXOJ-UHFFFAOYSA-L
norman_susdat_id: NS00064638
pubchem_cid: 3020835
smiles: [Ca+2].O=C1N(N=C(C)C1N=NC2=CC=C(Cl)C(=C2)S(=O)(=O)[O-])C3=CC=CC(=C3)S(=O)(=O)[O-]
name:
Calcium 2-chloro-5-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate

inchi:
InChI=1/C16H13ClN4O7S2.Ca/c1-9-15(19-18-10-5-6-13(17)14(7-10)30(26,27)28)16(22)21(20-9)11-3-2-4-12(8-11)29(23,24)25;/h2-8,15H,1H3,(H,23,24,25)(H,26,27,28);/q;+2/p-2


cas: 85605-16-9
formula: C18H17N5O8S2
inchikey: KFDFGGGYYSTVFT-UHFFFAOYSA-L
norman_susdat_id: NS00064639
pubchem_cid: 3020837
smiles: [Ca+2].O=C(NC1=CC=C(N=NC2C(=O)N(N=C2C)C3=CC=CC(=C3)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-])C
name:
Calcium 5-acetamido-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate

inchi:
InChI=1/C18H17N5O8S2.Ca/c1-10-17(18(25)23(22-10)13-4-3-5-14(9-13)32(26,27)28)21-20-15-7-6-12(19-11(2)24)8-16(15)33(29,30)31;/h3-9,17H,1-2H3,(H,19,24)(H,26,27,28)(H,29,30,31);/q;+2/p-2


name: Aluminium tris(diisopropylnaphthalenesulphonate)
cas: 85614-27-3
formula: C16H20O3S.1/3Al
inchikey: SUXNWUSPWOLROR-UHFFFAOYSA-K
norman_susdat_id: NS00092987
inchi:
InChI=1/3C16H20O3S.Al/c3*1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4;/h3*5-11H,1-4H3,(H,17,18,19);/q;;;+3/p-3

smiles:
[Al+3].CC(C)c1cc2ccccc2c(c1C(C)C)S(=O)(=O)[O-].CC(C)c3cc4ccccc4c(c3C(C)C)S(=O)(=O)[O-].CC(C)c5cc6ccccc6c(c5C(C)C)S(=O)(=O)[O-]


name: Calcium bis[di(tert-butyl)naphthalenesulphonate]
cas: 85614-29-5
formula: C18H24O3S.1/2Ca
inchikey: ZMZJSSHWIFTNKO-UHFFFAOYSA-L
norman_susdat_id: NS00092258
smiles: [Ca+2].CC(C)(C)c1cc2ccccc2c(c1C(C)(C)C)S(=O)(=O)[O-].CC(C)(C)c3cc4ccccc4c(c3C(C)(C)C)S(=O)(=O)[O-]
inchi:
InChI=1/2C18H24O3S.Ca/c2*1-17(2,3)14-11-12-9-7-8-10-13(12)16(22(19,20)21)15(14)18(4,5)6;/h2*7-11H,1-6H3,(H,19,20,21);/q;;+2/p-2


name: Potassium tris(1-methylethyl)naphthalenesulphonate
cas: 85614-32-0
formula: C19H26O3S.K
inchikey: GUULSDHFRHHZJD-UHFFFAOYSA-M
norman_susdat_id: NS00092530
smiles: [K+].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-]
inchi:
InChI=1/C19H26O3S.K/c1-11(2)16-14-9-7-8-10-15(14)19(23(20,21)22)18(13(5)6)17(16)12(3)4;/h7-13H,1-6H3,(H,20,21,22);/q;+1/p-1


name: Calcium tris(1-methylethyl)naphthalenesulphonate
cas: 85614-33-1
formula: C19H26O3S.1/2Ca
inchikey: VODKAEOYQCMHAA-UHFFFAOYSA-L
norman_susdat_id: NS00092304
inchi:
InChI=1/2C19H26O3S.Ca/c2*1-11(2)16-14-9-7-8-10-15(14)19(23(20,21)22)18(13(5)6)17(16)12(3)4;/h2*7-13H,1-6H3,(H,20,21,22);/q;;+2/p-2

smiles:
[Ca+2].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-].CC(C)c3c(C(C)C)c(c4ccccc4c3C(C)C)S(=O)(=O)[O-]


name: Aluminium tris[tris(1-methylethyl)naphthalenesulphonate]
cas: 85614-34-2
formula: C19H26O3S.1/3Al
inchikey: RXOMEIOGUUGIDP-UHFFFAOYSA-K
norman_susdat_id: NS00092305
inchi:
InChI=1/3C19H26O3S.Al/c3*1-11(2)16-14-9-7-8-10-15(14)19(23(20,21)22)18(13(5)6)17(16)12(3)4;/h3*7-13H,1-6H3,(H,20,21,22);/q;;;+3/p-3

smiles:
[Al+3].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-].CC(C)c3c(C(C)C)c(c4ccccc4c3C(C)C)S(=O)(=O)[O-].CC(C)c5c(C(C)C)c(c6ccccc6c5C(C)C)S(=O)(=O)[O-]


cas: 85614-38-6
dtxsid: DTXSID901006195
formula: C37H29N3O12S4
inchikey: BUDVUVXNJNGVEF-UHFFFAOYSA-K
norman_susdat_id: NS00065940
pubchem_cid: NA
name:
Trisodium hydrogen 4-[[4-[[4-[(4-sulphonatophenyl)amino]phenyl][4-[(4-sulphonatophenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]benzenedisulphonate

inchi:
InChI=1/C37H29N3O12S4.3Na.H2/c41-53(42,43)33-18-13-30(14-19-33)38-27-7-1-24(2-8-27)37(25-3-9-28(10-4-25)39-31-15-20-34(21-16-31)54(44,45)46)26-5-11-29(12-6-26)40-32-17-22-35(55(47,48)49)36(23-32)56(50,51)52;;;;/h1-23,38,40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;1H/q;4*+1/p-4

smiles:
[H+].c1cc(ccc1C(=C2C=CC(=Nc3ccc(cc3)S(=O)(=O)[O-])C=C2)c4ccc(cc4)Nc5ccc(c(c5)S(=O)(=O)[O-])S(=O)(=O)[O-])Nc6ccc(cc6)S(=O)(=O)[O-].[Na+].[Na+].[Na+]


name: Heptyl 1-thiohexopyranoside
cas: 85618-20-8
dtxsid: DTXSID101006208
formula: C13H26O5S
inchikey: HPEGNLMTTNTJSP-LBELIVKGSA-N
norman_susdat_id: NS00071455
pubchem_cid: 656917
smiles: CCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C13H26O5S/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1


name: 1-s-octyl-beta-d-thioglucopyranoside
cas: 85618-21-9
dtxsid: DTXSID60962771
formula: C14H28O5S
inchikey: CGVLVOOFCGWBCS-RGDJUOJXSA-N
norman_susdat_id: NS00070373
pubchem_cid: 656909
smiles: CCCCCCCCS[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C14H28O5S/c1-2-3-4-5-6-7-8-20-14-13(18)12(17)11(16)10(9-15)19-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14+/m1/s1


name: Sulfoaildenafil
cas: 856190-47-1
chemspiderid: 24751855
dtxsid: DTXSID20234860
formula: C23H32N6O3S2
inchikey: SCLUKEPFXXPARW-GASCZTMLSA-N
norman_susdat_id: NS00015873
pubchem_cid: 56841591
smiles: CCCC1=NN(C2=C1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CC(NC(C4)C)C)OCC)C
inchi:
InChI=1S/C23H32N6O3S2/c1-6-8-18-20-21(28(5)27-18)23(33)26-22(25-20)17-11-16(9-10-19(17)32-7-2)34(30,31)29-12-14(3)24-15(4)13-29/h9-11,14-15,24H,6-8,12-13H2,1-5H3,(H,25,26,33)/t14-,15+


name: Aryl Pyrazole (Sisapronil)
cas: 856225-89-3
chemspiderid: 9411678
formula: C15H6Cl2F8N4
inchikey: VBAVKJPWXSLDSG-UHFFFAOYSA-N
norman_susdat_id: NS00040605
pubchem_cid: 11236633
smiles: Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)C1(CC1(F)F)C(F)(F)F
inchi:
InChI=1S/C15H6Cl2F8N4/c16-6-1-5(14(20,21)22)2-7(17)10(6)29-11(27)9(8(3-26)28-29)12(15(23,24)25)4-13(12,18)19/h1-2H,4,27H2


cas: 85631-40-9
dtxsid: DTXSID00881290
norman_susdat_id: NS00108861
name:
Quaternary ammonium compd., dimethyl(.gamma.-.omega.-perfluoro-C8-14-.beta.-alkenyl)[2-(sulfooxy)ethyl], hydroxides, inner salts


name: Hexatriacontan-17-ol
cas: 85631-71-6
dtxsid: DTXSID601006215
formula: C36H74O
inchikey: XFHYBLDFZAHMTK-UHFFFAOYSA-N
norman_susdat_id: NS00065029
pubchem_cid: 3020851
smiles: OC(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C36H74O/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-36(37)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h36-37H,3-35H2,1-2H3


cas: 85631-74-9
formula: C28H21Cl2N15O13S4
inchikey: ORAUROUWISTJCC-UHFFFAOYSA-J
norman_susdat_id: NS00065807
pubchem_cid: NA
name:
Tetrasodium 4-amino-3,6-bis[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C28H21Cl2N15O13S4.4Na/c29-23-36-25(32)40-27(38-23)34-10-1-3-14(59(47,48)49)12(7-10)42-44-20-16(61(53,54)55)5-9-6-17(62(56,57)58)21(22(46)18(9)19(20)31)45-43-13-8-11(2-4-15(13)60(50,51)52)35-28-39-24(30)37-26(33)41-28;;;;/h1-8,46H,31H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H3,32,34,36,38,40)(H3,33,35,37,39,41);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1N=NC2=C(O)C=3C(C=C2S(=O)(=O)[O-])=CC(=C(N=NC4=CC(=CC=C4S(=O)(=O)[O-])NC=5N=C(Cl)N=C(N5)N)C3N)S(=O)(=O)[O-])NC=6N=C(Cl)N=C(N6)N


cas: 85631-75-0
dtxsid: DTXSID90234872
formula: C27H20Cl2N8O9S3
inchikey: FUGDXAAYCZQYSW-UHFFFAOYSA-K
norman_susdat_id: NS00064500
pubchem_cid: 11970970
name:
Trisodium 2-[[4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-7-sulphonato-1-naphthyl]azo]-2,5-dimethylphenyl]azo]benzene-1,4-disulphonate

inchi:
InChI=1/C27H20Cl2N8O9S3.3Na/c1-13-10-22(36-37-23-12-16(48(41,42)43)4-8-24(23)49(44,45)46)14(2)9-21(13)35-34-20-7-6-19(30-27-32-25(28)31-26(29)33-27)17-5-3-15(11-18(17)20)47(38,39)40;;;/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+].O=S(=O)([O-])C1=CC=C(C(N=NC2=CC(=C(N=NC3=CC=C(NC=4N=C(Cl)N=C(Cl)N4)C=5C=CC(=CC35)S(=O)(=O)[O-])C=C2C)C)=C1)S(=O)(=O)[O-]


cas: 85631-77-2
dtxsid: DTXSID30890416
formula: C27H22ClN7O11S3
inchikey: ROOXOSRUUHTHSX-UHFFFAOYSA-K
norman_susdat_id: NS00065808
pubchem_cid: 103341
name:
Trisodium 5-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C27H22ClN7O11S3.3Na/c1-35(15-6-4-3-5-7-15)27-31-25(28)30-26(32-27)29-19-13-17(47(37,38)39)10-14-11-21(49(43,44)45)23(24(36)22(14)19)34-33-18-9-8-16(46-2)12-20(18)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+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(OC)C=C3S(=O)(=O)[O-])C(O)=C2C(=C1)NC4=NC(Cl)=NC(=N4)N(C=5C=CC=CC5)C)S(=O)(=O)[O-]


cas: 85631-80-7
dtxsid: DTXSID50234873
formula: C21H16Cl2N6O10S3
inchikey: BDTKYWIRNJPSPQ-UHFFFAOYSA-K
norman_susdat_id: NS00064501
pubchem_cid: 11970972
name:
Trisodium 7-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-methoxy-2-methylphenyl]azo]naphthalene-1,3,5-trisulphonate

inchi:
InChI=1/C21H16Cl2N6O10S3.3Na/c1-9-3-15(24-21-26-19(22)25-20(23)27-21)16(39-2)8-14(9)29-28-10-4-12-13(17(5-10)41(33,34)35)6-11(40(30,31)32)7-18(12)42(36,37)38;;;/h3-8H,1-2H3,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,24,25,26,27);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=2C(=CC(N=NC=3C=C(OC)C(=CC3C)NC=4N=C(Cl)N=C(Cl)N4)=CC2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]


cas: 85631-81-8
dtxsid: DTXSID001006217
formula: C23H18N2O13S3
inchikey: WGMYTAYCFFXTRW-UHFFFAOYSA-M
norman_susdat_id: NS00064593
pubchem_cid: 163501
name:
Sodium 2-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino]-4-[[2-(sulphooxy)ethyl]sulphonyl]benzoate

inchi:
InChI=1/C23H18N2O13S3.Na/c24-20-17(40(32,33)34)10-16(18-19(20)22(27)13-4-2-1-3-12(13)21(18)26)25-15-9-11(5-6-14(15)23(28)29)39(30,31)8-7-38-41(35,36)37;/h1-6,9-10,25H,7-8,24H2,(H,28,29)(H,32,33,34)(H,35,36,37);/q;+1/p-1

smiles:
[Na+].O=C([O-])C1=CC=C(C=C1NC=2C=C(C(N)=C3C(=O)C=4C=CC=CC4C(=O)C23)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O


cas: 85631-82-9
formula: C34H25N8O14S3
inchikey: ACUCGXMQEHNUDP-UHFFFAOYSA-K
norman_susdat_id: NS00064706
pubchem_cid: NA
name:
Trisodium 5-[[2,4-dihydroxy-5-[[4-(phenylamino)-3-sulphonatophenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H24N8O14S3.3Na/c43-28-17-29(44)26(16-25(28)38-37-21-8-11-24(30(14-21)58(51,52)53)35-19-4-2-1-3-5-19)39-40-27-15-23(57(48,49)50)12-18-13-31(59(54,55)56)33(34(45)32(18)27)41-36-20-6-9-22(10-7-20)42(46)47;;;/h1-17,35,43-45H,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(O)=C3C(N=NC4=CC(N=NC5=CC=C(NC=6C=CC=CC6)C(=C5)S(=O)(=O)[O-])=C(O)C=C4O)=CC(=CC3=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1


name: Sodium 4-[[5-[(2,4-dimethylphenyl)azo]-2,4-dihydroxyphenyl]azo]benzenesulphonate
cas: 85631-83-0
formula: C20H18N4O5S
inchikey: QKFQABDKMNQWLM-UHFFFAOYSA-M
norman_susdat_id: NS00065888
pubchem_cid: 3020854
smiles: [Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C=C(N=NC3=CC=C(C=C3C)C)C(O)=CC2O)C=C1
inchi:
InChI=1/C20H18N4O5S.Na/c1-12-3-8-16(13(2)9-12)22-24-18-10-17(19(25)11-20(18)26)23-21-14-4-6-15(7-5-14)30(27,28)29;/h3-11,25-26H,1-2H3,(H,27,28,29);/q;+1/p-1


cas: 85631-84-1
formula: C30H24N6O8S2
inchikey: GFPVMBUNOPQPPV-UHFFFAOYSA-L
norman_susdat_id: NS00064594
pubchem_cid: 135755715
name:
Disodium 4-[[2,4-dihydroxy-5-[[3-methyl-4-[(2-methyl-5-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]naphthalene-1-sulphonate

inchi:
InChI=1/C30H24N6O8S2.2Na/c1-17-7-9-20(45(39,40)41)14-25(17)34-32-23-10-8-19(13-18(23)2)31-35-26-15-27(29(38)16-28(26)37)36-33-24-11-12-30(46(42,43)44)22-6-4-3-5-21(22)24;;/h3-16,37-38H,1-2H3,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C(N=NC2=CC=C(N=NC=3C=C(N=NC4=CC=C(C=5C=CC=CC45)S(=O)(=O)[O-])C(O)=CC3O)C=C2C)=C1)C


cas: 85631-85-2
formula: C24H18N8O12S2
inchikey: RJFYJGUYXAAQGJ-UHFFFAOYSA-L
norman_susdat_id: NS00064595
pubchem_cid: NA
name:
Disodium 2-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]-5-[(4-sulphonatophenyl)azo]phenyl]azo]-5-nitrobenzenesulphonate

inchi:
InChI=1/C24H16N8O12S2.2Na/c33-23-19(28-25-14-3-8-17(9-4-14)45(39,40)41)12-20(24(34)22(23)30-26-13-1-5-15(6-2-13)31(35)36)29-27-18-10-7-16(32(37)38)11-21(18)46(42,43)44;;/h1-12,33-34H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(O)=C(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C=C(N=NC4=CC=C(C=C4S(=O)(=O)[O-])[N+](=O)[O-])C2O)C=C1


cas: 85631-86-3
formula: C38H28N10O13S3
inchikey: OUOXBRUBQVVMAO-UHFFFAOYSA-K
norman_susdat_id: NS00065121
pubchem_cid: 135570876
name:
Trisodium 4-[[3-[[3-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulphonatophenyl)azo]-1H-pyrazol-1-yl]phenyl]azo]-2,4-dihydroxyphenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C38H28N10O13S3.3Na/c1-20-33(44-40-23-10-12-26(13-11-23)62(53,54)55)38(52)48(47-20)25-9-5-8-24(18-25)41-45-34-30(49)15-14-28(36(34)50)42-43-29-19-27(63(56,57)58)16-21-17-31(64(59,60)61)35(37(51)32(21)29)46-39-22-6-3-2-4-7-22;;;/h2-19,33,49-51H,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])C=3C=CC=C(N=NC=4C(O)=CC=C(N=NC5=CC(=CC6=CC(=C(N=NC=7C=CC=CC7)C(O)=C56)S(=O)(=O)[O-])S(=O)(=O)[O-])C4O)C3


cas: 85631-87-4
formula: C41H32N9O15S3
inchikey: HZRDKBJAWNKKKU-UHFFFAOYSA-K
norman_susdat_id: NS00065122
pubchem_cid: 25040025
name:
Trisodium 4-hydroxy-5-[[2-hydroxy-4-[[3-hydroxy-4-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]amino]phenyl]azo]-3-[(4-methoxyphenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C41H31N9O15S3.3Na/c1-65-29-11-6-25(7-12-29)45-49-40-38(68(62,63)64)17-22-16-30(66(56,57)58)21-34(39(22)41(40)53)48-47-32-14-9-27(19-36(32)52)42-26-8-13-31(35(51)18-26)46-44-24-4-2-23(3-5-24)43-33-15-10-28(50(54)55)20-37(33)67(59,60)61;;;/h2-21,42-43,51-53H,1H3,(H,56,57,58)(H,59,60,61)(H,62,63,64);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC3=CC=C(C=C3O)NC4=CC=C(N=NC5=CC(=CC6=CC(=C(N=NC7=CC=C(OC)C=C7)C(O)=C56)S(=O)(=O)[O-])S(=O)(=O)[O-])C(O)=C4)C=C2)C(=C1)S(=O)(=O)[O-]


cas: 85631-88-5
dtxsid: DTXSID90890417
formula: C34H27N9O11S3
inchikey: GWAKFAUFNNPZFE-UHFFFAOYSA-K
norman_susdat_id: NS00065889
pubchem_cid: 135848711
name:
Trisodium 4-amino-3-[[4-[[4-[(2-amino-4-hydroxyphenyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H27N9O11S3.3Na/c35-24-17-23(44)11-13-25(24)41-38-21-8-6-19(7-9-21)37-26-12-10-22(16-27(26)55(46,47)48)40-42-32-28(56(49,50)51)14-18-15-29(57(52,53)54)33(34(45)30(18)31(32)36)43-39-20-4-2-1-3-5-20;;;/h1-17,37,44-45H,35-36H2,(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=CC2=CC(=C(N=NC3=CC=C(NC4=CC=C(N=NC5=CC=C(O)C=C5N)C=C4)C(=C3)S(=O)(=O)[O-])C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)[O-]


cas: 85631-89-6
formula: C40H29ClN10O16S3
inchikey: WPZDJLVYSZUKCT-UHFFFAOYSA-K
norman_susdat_id: NS00065890
pubchem_cid: 16132039
name:
Trisodium 3-[(2-chloro-4-nitrophenyl)azo]-4-hydroxy-5-[[2-hydroxy-4-[[3-hydroxy-4-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]amino]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C40H27ClN10O16S3.3Na/c41-28-17-25(50(55)56)7-11-29(28)45-49-39-37(70(65,66)67)14-20-13-27(68(59,60)61)19-33(38(20)40(39)54)48-47-31-10-6-24(16-35(31)53)42-23-5-9-30(34(52)15-23)46-44-22-3-1-21(2-4-22)43-32-12-8-26(51(57)58)18-36(32)69(62,63)64;;;/h1-19,42-43,52-54H,(H,59,60,61)(H,62,63,64)(H,65,66,67);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(O)=C3C(N=NC4=CC=C(C=C4O)NC5=CC=C(N=NC6=CC=C(C=C6)NC7=CC=C(C=C7S(=O)(=O)[O-])[N+](=O)[O-])C(O)=C5)=CC(=CC3=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C(Cl)=C1


cas: 85631-90-9
formula: C34H26N8O11S3.3Na
inchikey: LOUUSPRSIYVVCL-UHFFFAOYSA-K
norman_susdat_id: NS00092971
name:
Trisodium 4-amino-5-hydroxy-3-[[4-[[4-[(4-hydroxyphenyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H26N8O11S3.3Na/c35-31-30-19(17-29(56(51,52)53)33(34(30)44)42-39-21-4-2-1-3-5-21)16-28(55(48,49)50)32(31)41-40-24-12-15-26(27(18-24)54(45,46)47)36-20-6-8-22(9-7-20)37-38-23-10-13-25(43)14-11-23;;;/h1-18,36,43-44H,35H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].Oc6ccc(N=Nc5ccc(Nc4ccc(N=Nc3c(cc2cc(c(N=Nc1ccccc1)c(O)c2c3N)S([O-])(=O)=O)S([O-])(=O)=O)cc4S([O-])(=O)=O)cc5)cc6


cas: 85631-91-0
dtxsid: DTXSID401006219
formula: C31H20N6O9S4
inchikey: HRLVKRDNPLVQQM-UHFFFAOYSA-K
norman_susdat_id: NS00064613
pubchem_cid: 56843173
name:
Trisodium 4,5-dihydro-4-[[4-(6-methyl[2,6'-bibenzothiazol]-2'-yl)-2-sulphonatophenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C31H20N6O9S4.3Na/c1-15-2-9-20-23(12-15)47-28(32-20)16-3-10-21-24(13-16)48-29(33-21)17-4-11-22(25(14-17)50(44,45)46)34-35-26-27(31(39)40)36-37(30(26)38)18-5-7-19(8-6-18)49(41,42)43;;;/h2-14,26H,1H3,(H,39,40)(H,41,42,43)(H,44,45,46);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC=C(C=C2S(=O)(=O)[O-])C3=NC4=CC=C(C=C4S3)C5=NC=6C=CC(=CC6S5)C)C7=CC=C(C=C7)S(=O)(=O)[O-]


cas: 85650-44-8
dtxsid: DTXSID001006229
formula: C25H17ClN6O7S2
inchikey: DULVJPMYVDGDJD-UHFFFAOYSA-L
norman_susdat_id: NS00065906
pubchem_cid: 116646
name:
Disodium 5-[(4-chloro-6-phenyl-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C25H17ClN6O7S2.2Na/c26-24-28-23(14-7-3-1-4-8-14)29-25(30-24)27-18-13-17(40(34,35)36)11-15-12-19(41(37,38)39)21(22(33)20(15)18)32-31-16-9-5-2-6-10-16;;/h1-13,33H,(H,34,35,36)(H,37,38,39)(H,27,28,29,30);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C=CC=CC3)C(O)=C2C(=C1)NC4=NC(Cl)=NC(=N4)C=5C=CC=CC5)S(=O)(=O)[O-]


name: 4-[2-hydroxy-3-[benzyl(isopropyl)amino]propoxy]phenylacetamide
cas: 85650-48-2
formula: C21H28N2O3
inchikey: CLOYEMVSCVWBME-UHFFFAOYSA-N
norman_susdat_id: NS00064707
pubchem_cid: 3020855
smiles: O=C(N)CC1=CC=C(OCC(O)CN(CC=2C=CC=CC2)C(C)C)C=C1
inchi:
InChI=1/C21H28N2O3/c1-16(2)23(13-18-6-4-3-5-7-18)14-19(24)15-26-20-10-8-17(9-11-20)12-21(22)25/h3-11,16,19,24H,12-15H2,1-2H3,(H2,22,25)


name: Ethyl 2-[3-(hexyloxy)-2-hydroxypropoxy]benzoate
cas: 85650-51-7
dtxsid: DTXSID001006231
formula: C18H28O5
inchikey: DRTODOJMOBSZCA-UHFFFAOYSA-N
norman_susdat_id: NS00064614
pubchem_cid: 3020856
smiles: O=C(OCC)C=1C=CC=CC1OCC(O)COCCCCCC
inchi:
InChI=1/C18H28O5/c1-3-5-6-9-12-21-13-15(19)14-23-17-11-8-7-10-16(17)18(20)22-4-2/h7-8,10-11,15,19H,3-6,9,12-14H2,1-2H3


name: trans-1,2,3,4,4a,13b-hexahydro-2-methyldibenzo[2,3:6,7]thiepino[4,5-c]pyridinium maleate
cas: 85650-54-0
formula: C18H19NS.C4H4O4
inchikey: FORHMUYPKFKWBA-OAJMJHGRSA-N
norman_susdat_id: NS00092245
inchi:
InChI=1/2C18H19NS.C4H4O4/c2*1-19-11-10-13-14-6-2-4-8-17(14)20-18-9-5-3-7-15(18)16(13)12-19;5-3(6)1-2-4(7)8/h2*2-9,13,16H,10-12H2,1H3;1-2H,(H,5,6)(H,7,8)

smiles:
C[NH+]1CC[C@H]2[C@H](C1)c3ccccc3Sc4ccccc24.C[NH+]5CC[C@H]6[C@H](C5)c7ccccc7Sc8ccccc68.[O-]C(=O)\C=C/C(=O)[O-]


name: cis-5-chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrole maleate
cas: 85650-55-1
formula: C17H16ClNO.C4H4O4
inchikey: GMDCDXMAFMEDAG-MRBIQUNFSA-N
norman_susdat_id: NS00092294
smiles: CN1C[C@@H]2[C@H](C1)c3ccccc3Oc4ccc(Cl)cc24.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C17H16ClNO.C4H4O4/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19;5-3(6)1-2-4(7)8/h2-8,14-15H,9-10H2,1H3;1-2H,(H,5,6)(H,7,8)


name: 6,7,8,9-tetrahydro-3,7-dimethyl-5H-dibenz[b,i][1,6]oxazecinium hydrogen maleate
cas: 85650-59-5
formula: C18H21NO.C4H4O4
inchikey: OZEXFQGIWSAAES-BTJKTKAUSA-M
norman_susdat_id: NS00092510
smiles: C[NH+]1CCc2ccccc2Oc3ccc(C)cc3CC1.[O-]C(=O)\C=C/C(=O)[O-]
inchi:
InChI=1/C18H21NO.C4H4O4/c1-14-7-8-18-16(13-14)10-12-19(2)11-9-15-5-3-4-6-17(15)20-18;5-3(6)1-2-4(7)8/h3-8,13H,9-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/p-1


cas: 85650-61-9
formula: C34H25ClN8O10S4
inchikey: SHZOIXHRIIIBKW-UHFFFAOYSA-K
norman_susdat_id: NS00065123
pubchem_cid: NA
name:
Trisodium 5-[[4-chloro-6-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(p-tolyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H25ClN8O10S4.3Na/c1-16-3-8-21(9-4-16)42-43-27-25(56(48,49)50)14-19-13-22(55(45,46)47)15-24(26(19)28(27)44)38-34-40-32(35)39-33(41-34)36-20-10-6-18(7-11-20)31-37-23-12-5-17(2)30(29(23)54-31)57(51,52)53;;;/h3-15,44H,1-2H3,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,36,38,39,40,41);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(C=C3)C)C(O)=C2C(=C1)NC=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-]


name: N,N'-(3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(4-hydroxy-3-nitrobenzamide)
cas: 85650-62-0
chemspiderid: 35790030
dtxsid: DTXSID00234904
formula: C28H22N4O10
inchikey: NSOJHZNYFZPPGB-UHFFFAOYSA-N
norman_susdat_id: NS00039010
pubchem_cid: 56842330
smiles: COc1c(NC(=O)c2cc(c(O)cc2)[N+](=O)[O-])ccc(c1)c1cc(OC)c(NC(=O)c2cc(c(O)cc2)[N+](=O)[O-])cc1
inchi:
InChI=1S/C28H22N4O10/c1-41-25-13-15(3-7-19(25)29-27(35)17-5-9-23(33)21(11-17)31(37)38)16-4-8-20(26(14-16)42-2)30-28(36)18-6-10-24(34)22(12-18)32(39)40/h3-14,33-34H,1-2H3,(H,29,35)(H,30,36)


name: N,N'-(3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(3-amino-4-hydroxybenzamide)
cas: 85650-63-1
chemspiderid: 35790031
dtxsid: DTXSID60234905
formula: C28H26N4O6
inchikey: HBQWUISNSCLFOY-UHFFFAOYSA-N
norman_susdat_id: NS00039011
pubchem_cid: 56842331
smiles: COc1c(NC(=O)c2cc(N)c(O)cc2)ccc(c1)c1cc(OC)c(NC(=O)c2cc(N)c(O)cc2)cc1
inchi:
InChI=1S/C28H26N4O6/c1-37-25-13-15(3-7-21(25)31-27(35)17-5-9-23(33)19(29)11-17)16-4-8-22(26(14-16)38-2)32-28(36)18-6-10-24(34)20(30)12-18/h3-14,33-34H,29-30H2,1-2H3,(H,31,35)(H,32,36)


name: 2-Acetamido-4-((4-aminobenzoyl)amino)benzenesulphonamide
cas: 85650-64-2
chemspiderid: 2287639
dtxsid: DTXSID20234906
formula: C15H16N4O4S1
inchikey: BUNLZXBXEKQPSM-UHFFFAOYSA-N
norman_susdat_id: NS00039012
pubchem_cid: 3020857
smiles: CC(=O)Nc1c(ccc(NC(=O)c2ccc(N)cc2)c1)S(=O)(=O)N
inchi:
InChI=1S/C15H16N4O4S/c1-9(20)18-13-8-12(6-7-14(13)24(17,22)23)19-15(21)10-2-4-11(16)5-3-10/h2-8H,16H2,1H3,(H,18,20)(H,19,21)(H2,17,22,23)


name: 2-Amino-4-((4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzoyl)amino)benzenesulphonic acid
cas: 85650-65-3
chemspiderid: 2287640
dtxsid: DTXSID80234907
formula: C17H16N4O5S1
inchikey: SFJMKHDOGYSZHA-UHFFFAOYSA-N
norman_susdat_id: NS00039013
pubchem_cid: 3020858
smiles: CC1=NN(C(=O)C1)c1ccc(cc1)C(=O)Nc1cc(N)c(cc1)S(=O)(=O)O
inchi:
InChI=1S/C17H16N4O5S/c1-10-8-16(22)21(20-10)13-5-2-11(3-6-13)17(23)19-12-4-7-15(14(18)9-12)27(24,25)26/h2-7,9H,8,18H2,1H3,(H,19,23)(H,24,25,26)


cas: 85650-66-4
dtxsid: DTXSID401006233
formula: C30H24N4O7S2
inchikey: MYYHYTZWDYIFAP-UHFFFAOYSA-N
norman_susdat_id: NS00065124
pubchem_cid: 3020859
smiles: O=C(NC1=CC=C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)O)C(=C1)S(=O)(=O)C4=CC=C(C=C4)C)C=5C=CC=CC5
name:
6-amino-5-[[4-(benzoylamino)-2-[(p-tolyl)sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid

inchi:
InChI=1/C30H24N4O7S2/c1-18-7-11-22(12-8-18)42(37,38)27-16-21(32-30(36)19-5-3-2-4-6-19)10-14-25(27)33-34-29-24(31)13-9-20-15-23(43(39,40)41)17-26(35)28(20)29/h2-17,35H,31H2,1H3,(H,32,36)(H,39,40,41)


cas: 85650-67-5
formula: C30H24N4O7S2.Na
inchikey: TZABVZRSBDQKLE-UHFFFAOYSA-M
norman_susdat_id: NS00092978
smiles: [Na+].Cc1ccc(cc1)S(=O)(=O)c5cc(NC(=O)c2ccccc2)ccc5N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O
name:
Sodium 6-amino-5-[[4-(benzoylamino)-2-[(p-tolyl)sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C30H24N4O7S2.Na/c1-18-7-11-22(12-8-18)42(37,38)27-16-21(32-30(36)19-5-3-2-4-6-19)10-14-25(27)33-34-29-24(31)13-9-20-15-23(43(39,40)41)17-26(35)28(20)29;/h2-17,35H,31H2,1H3,(H,32,36)(H,39,40,41);/q;+1/p-1


name: Tetraammonium benzene-1,2,4,5-tetracarboxylate
cas: 85650-68-6
formula: C10H6O8.4H3N
inchikey: FCRPMISQNGXHQA-UHFFFAOYSA-N
norman_susdat_id: NS00092979
smiles: [NH4+].[NH4+].[NH4+].[NH4+].[O-]C(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C10H6O8.4H3N/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*1H3


name: Ethyl 17-hydroxy-11alpha-(mesyloxy)-16beta-methylpregna-1,4-diene-3,20-dione 21-carbonate
cas: 85650-69-7
chemspiderid: 21165090
dtxsid: DTXSID00234909
formula: C26H36O9S1
inchikey: WZOKEDWUWJMIBJ-JUQYPRCDSA-N
norman_susdat_id: NS00039014
pubchem_cid: 56842332
smiles: CCC1=CC2(C)C3C(CC4(C)C(CC(C)C4(O)C(=O)COC(=O)O)C3CCC2=CC1=O)OS(=O)(=O)C
inchi:
InChI=1S/C26H36O9S/c1-6-15-11-24(3)16(10-19(15)27)7-8-17-18-9-14(2)26(31,21(28)13-34-23(29)30)25(18,4)12-20(22(17)24)35-36(5,32)33/h10-11,14,17-18,20,22,31H,6-9,12-13H2,1-5H3,(H,29,30)/t14-,17-,18+,20-,22+,24-,25+,26-/m0/s1


cas: 85650-79-9
formula: C33H30N6O12S2
inchikey: VRPJENJYLNCBDC-UHFFFAOYSA-L
norman_susdat_id: NS00064708
pubchem_cid: 71440621
name:
Disodium 2,2'-[(2-methyl-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[imino(methyl-p-phenylene)imino]]bis[5-nitrobenzenesulphonate]

inchi:
InChI=1/C33H28N6O12S2.2Na/c1-17-12-20(34-26-10-6-22(38(42)43)14-30(26)52(46,47)48)4-8-24(17)36-28-16-29(40)32(19(3)33(28)41)37-25-9-5-21(13-18(25)2)35-27-11-7-23(39(44)45)15-31(27)53(49,50)51;;/h4-16,34-37H,1-3H3,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=C(NC2=CC=C(C=C2C)NC3=CC=C(C=C3S(=O)(=O)[O-])[N+](=O)[O-])C(=O)C(=C1NC4=CC=C(C=C4C)NC5=CC=C(C=C5S(=O)(=O)[O-])[N+](=O)[O-])C


name: Bis[3-(allyloxy)-2,2-bis[(allyloxy)methyl]propyl] maleate
cas: 85661-28-5
formula: C32H48O10
inchikey: JTLFNSMMENANMV-YPKPFQOOSA-N
norman_susdat_id: NS00064621
pubchem_cid: 6432970
smiles: O=C(OCC(COCC=C)(COCC=C)COCC=C)C=CC(=O)OCC(COCC=C)(COCC=C)COCC=C
inchi:
InChI=1/C32H48O10/c1-7-15-35-21-31(22-36-16-8-2,23-37-17-9-3)27-41-29(33)13-14-30(34)42-28-32(24-38-18-10-4,25-39-19-11-5)26-40-20-12-6/h7-14H,1-6,15-28H2


name: [3-allyloxy-2,2-bis(allyloxymethyl)propyl] hydrogen maleate
cas: 85661-29-6
formula: C18H26O7
inchikey: KNDUUGQODQGFMG-FPLPWBNLSA-N
norman_susdat_id: NS00064711
pubchem_cid: 91997475
smiles: O=C(O)C=CC(=O)OCC(COCC=C)(COCC=C)COCC=C
inchi:
InChI=1/C18H26O7/c1-4-9-22-12-18(13-23-10-5-2,14-24-11-6-3)15-25-17(21)8-7-16(19)20/h4-8H,1-3,9-15H2,(H,19,20)


name: Bis(3-methoxypropyl) phthalate
cas: 85661-30-9
chemspiderid: 2287648
dtxsid: DTXSID70234916
formula: C16H22O6
inchikey: BLXLORWYXGINLY-UHFFFAOYSA-N
norman_susdat_id: NS00039016
pubchem_cid: 3020871
smiles: COCCCOC(=O)c1c(cccc1)C(=O)OCCCOC
inchi:
InChI=1S/C16H22O6/c1-19-9-5-11-21-15(17)13-7-3-4-8-14(13)16(18)22-12-6-10-20-2/h3-4,7-8H,5-6,9-12H2,1-2H3


name: 2-ethylhexyl 3-methoxypropyl phthalate
cas: 85661-32-1
dtxsid: DTXSID101006246
formula: C20H30O5
inchikey: ISLYGGZIEGTHIQ-UHFFFAOYSA-N
norman_susdat_id: NS00065150
pubchem_cid: 3020873
smiles: O=C(OCCCOC)C=1C=CC=CC1C(=O)OCC(CC)CCCC
inchi:
InChI=1/C20H30O5/c1-4-6-10-16(5-2)15-25-20(22)18-12-8-7-11-17(18)19(21)24-14-9-13-23-3/h7-8,11-12,16H,4-6,9-10,13-15H2,1-3H3


name: Ammonium (4-(tert-butyl)phenyl) (4-(tert-pentyl)phenyl) phosphate
cas: 85665-52-7
chemspiderid: 2287651
dtxsid: DTXSID90234918
formula: C21H29O4P1
inchikey: XXQVAIZNXFCTMK-UHFFFAOYSA-N
norman_susdat_id: NS00039018
pubchem_cid: 3020874
smiles: [NH4+].CCC(C)(C)c1ccc(OP(=O)([O-])Oc2ccc(cc2)C(C)(C)C)cc1
inchi:
InChI=1S/C21H29O4P/c1-7-21(5,6)17-10-14-19(15-11-17)25-26(22,23)24-18-12-8-16(9-13-18)20(2,3)4/h8-15H,7H2,1-6H3,(H,22,23)


cas: 85665-61-8
dtxsid: DTXSID60234925
formula: C24H25N5O5
inchikey: MMEIKUJPOXZQFE-UHFFFAOYSA-N
norman_susdat_id: NS00064732
pubchem_cid: 3020878
smiles: Cl.O=C1C2=C(N=CN2CCN(CC(=O)C3=CC=C(O)C(O)=C3)CC=4C=CC=CC4)N(C(=O)N1C)C
name:
7-[2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl](phenylmethyl)amino]ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride

inchi:
InChI=1/C24H25N5O5.ClH/c1-26-22-21(23(33)27(2)24(26)34)29(15-25-22)11-10-28(13-16-6-4-3-5-7-16)14-20(32)17-8-9-18(30)19(31)12-17;/h3-9,12,15,30-31H,10-11,13-14H2,1-2H3;1H


name: Oxiranylmethyl [[1,3,3-trimethyl-5-[[(oxiranylmethoxy)carbonyl]amino]cyclohexyl]methyl]carbamate
cas: 85665-62-9
dtxsid: DTXSID901006252
formula: C18H30N2O6
inchikey: USUOJGZXTMKLFM-UHFFFAOYSA-N
norman_susdat_id: NS00064733
pubchem_cid: 11970989
smiles: O=C(OCC1OC1)NCC2(C)CC(NC(=O)OCC3OC3)CC(C)(C)C2
inchi:
InChI=1/C18H30N2O6/c1-17(2)4-12(20-16(22)26-9-14-7-24-14)5-18(3,10-17)11-19-15(21)25-8-13-6-23-13/h12-14H,4-11H2,1-3H3,(H,19,21)(H,20,22)


cas: 85665-63-0
formula: C26H44O10Sn
inchikey: GUTCPQVLAHNWCI-VGKOASNMSA-L
norman_susdat_id: NS00065936
pubchem_cid: 56842397
smiles: O=C(OCCC(OC)C)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCC(OC)C)(CCCC)CCCC
name:
3-methoxybutyl (Z,Z)-12,12-dibutyl-3-methyl-7,10,14-trioxo-2,6,11,13-tetraoxa-12-stannaheptadeca-8,15-dien-17-oate

inchi:
InChI=1/2C9H14O5.2C4H9.Sn/c2*1-7(13-2)5-6-14-9(12)4-3-8(10)11;2*1-3-4-2;/h2*3-4,7H,5-6H2,1-2H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC26H44O10Sn/c1-7-9-19-37(20-10-8-2,35-25(29)13-11-23(27)33-17-15-21(3)31-5)36-26(30)14-12-24(28)34-18-16-22(4)32-6/h11-14,21-22H,7-10,15-20H2,1-6H3


name: Tridecafluoro-N-(2-hydroxyethyl)-N-propylhexanesulphonamide
cas: 85665-64-1
chemspiderid: 2287656
dtxsid: DTXSID20234926
formula: C11H12F13N1O3S1
inchikey: LTDRWTUOFBENPA-UHFFFAOYSA-N
norman_susdat_id: NS00011361
pubchem_cid: 3020879
smiles: C(O)CN([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC
inchi:
InChI=1S/C11H12F13NO3S/c1-2-3-25(4-5-26)29(27,28)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22/h26H,2-5H2,1H3


name: Sodium 3-((3-(((heptadecafluorooctyl)sulphonyl)amino)propyl)methylamino)propanesulphonate
cas: 85665-65-2
chemspiderid: 2287657
dtxsid: DTXSID80234927
formula: C15H17F17N2O5S2
inchikey: ZSPDCPUQRAQJLX-UHFFFAOYSA-M
norman_susdat_id: NS00019276
pubchem_cid: 23704677
smiles: [Na+].CN(CCCNS(=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)CCCS([O-])(=O)=O
inchi:
InChI=1S/C15H17F17N2O5S2/c1-34(6-3-7-40(35,36)37)5-2-4-33-41(38,39)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h33H,2-7H2,1H3,(H,35,36,37)


name: Potassium N-propyl-N-((tridecafluorohexyl)sulphonyl)glycinate
cas: 85665-66-3
chemspiderid: 21165099
dtxsid: DTXSID40234928
formula: C11H10F13N1O4S1
inchikey: YRNYBYSOOCBZHR-UHFFFAOYSA-M
norman_susdat_id: NS00019277
pubchem_cid: 56842451
smiles: [K+].CCCN(CC([O-])=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H10F13NO4S/c1-2-3-25(4-5(26)27)30(28,29)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22/h2-4H2,1H3,(H,26,27)


name: [3-[[(heptadecafluorooctyl)sulphonyl]amino]propyl]trimethylammonium hydroxide
cas: 85665-67-4
formula: C14H16F17N2O2S.HO
inchikey: KBILFSVJKSICJV-UHFFFAOYSA-M
norman_susdat_id: NS00092256
smiles: [OH-].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)C(F)(F)F
inchi:
InChI=1/C14H16F17N2O2S.H2O/c1-33(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;/h32H,4-6H2,1-3H3;1H2/q+1;/p-1


name: Diethyl (2-(1-naphthylamino)ethyl)phosphonate
cas: 85665-68-5
chemspiderid: 21165100
dtxsid: DTXSID10234930
formula: C16H22N1O3P1
inchikey: TWRSIHFMRALFNP-UHFFFAOYSA-N
norman_susdat_id: NS00039026
pubchem_cid: 56842452
smiles: CCOP(=O)(CCNc1cccc2ccccc12)OCC
inchi:
InChI=1S/C16H22NO3P/c1-3-19-21(18,20-4-2)13-12-17-16-11-7-9-14-8-5-6-10-15(14)16/h5-11,17H,3-4,12-13H2,1-2H3


name: Diethyl [2-(2,2,3-trimethyl-3-cyclopenten-1-yl)ethylidene]malonate
cas: 85665-70-9
dtxsid: DTXSID301006254
formula: C17H26O4
inchikey: ZTVHSXBMFVUOBU-UHFFFAOYSA-N
norman_susdat_id: NS00065152
pubchem_cid: 3020883
smiles: O=C(OCC)C(=CCC1CC=C(C)C1(C)C)C(=O)OCC
inchi:
InChI=1/C17H26O4/c1-6-20-15(18)14(16(19)21-7-2)11-10-13-9-8-12(3)17(13,4)5/h8,11,13H,6-7,9-10H2,1-5H3


cas: 85665-72-1
chemspiderid: 10144371
dtxsid: DTXSID70234931
formula: C36H63Cl2N11
inchikey: UDPMLRCYSXMNNA-UHFFFAOYSA-N
norman_susdat_id: NS00039027
pubchem_cid: 11970990
smiles: CCCCN(C1CC(C)(C)NC(C)(C)C1)c1nc(nc(Cl)n1)N(CCCC)c1nc(Cl)nc(n1)N(CCCC)C1CC(C)(C)NC(C)(C)C1
name:
N,N'-Dibutyl-N-(4-(butyl(2,2,6,6-tetramethyl-4-piperidyl)amino)-6-chloro-1,3,5-triazin-2-yl)-6-chloro-N'-(2,2,6,6-tetramethyl-4-piperidyl)-1,3,5-triazine-2,4-diamine

inchi:
InChI=1S/C36H63Cl2N11/c1-12-15-18-47(25-21-33(4,5)45-34(6,7)22-25)29-39-27(37)41-31(43-29)49(20-17-14-3)32-42-28(38)40-30(44-32)48(19-16-13-2)26-23-35(8,9)46-36(10,11)24-26/h25-26,45-46H,12-24H2,1-11H3


name: 3,7-dimethyl-1-(2-phenylethoxy)octane-1,7-diol
cas: 85665-81-2
dtxsid: DTXSID401006257
formula: C18H30O3
inchikey: LWPLJHROTQIHMD-UHFFFAOYSA-N
norman_susdat_id: NS00064578
pubchem_cid: 3020890
smiles: OC(OCCC=1C=CC=CC1)CC(C)CCCC(O)(C)C
inchi:
InChI=1/C18H30O3/c1-15(8-7-12-18(2,3)20)14-17(19)21-13-11-16-9-5-4-6-10-16/h4-6,9-10,15,17,19-20H,7-8,11-14H2,1-3H3


name: 3-(p-isopropylphenyl)-2-methyl-1-(phenethyloxy)propanol
cas: 85665-82-3
dtxsid: DTXSID101006258
formula: C21H28O2
inchikey: UFSYSTJMMODDEE-UHFFFAOYSA-N
norman_susdat_id: NS00065877
pubchem_cid: 3020891
smiles: OC(OCCC=1C=CC=CC1)C(C)CC2=CC=C(C=C2)C(C)C
inchi:
InChI=1/C21H28O2/c1-16(2)20-11-9-19(10-12-20)15-17(3)21(22)23-14-13-18-7-5-4-6-8-18/h4-12,16-17,21-22H,13-15H2,1-3H3


name: 2-hydroxy-5-{[(4-phenylbutan-2-yl)amino]acetyl}benzamide
cas: 85665-85-6
chemspiderid: 2287669
formula: C19H22N2O3
inchikey: BHKMAOIKHVZJCC-UHFFFAOYSA-N
norman_susdat_id: NS00040746
pubchem_cid: 3020893
smiles: CC(CCc1ccccc1)NCC(=O)c1ccc(O)c(c1)C(N)=O
inchi:
InChI=1S/C19H22N2O3/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24/h2-6,9-11,13,21-22H,7-8,12H2,1H3,(H2,20,24)


name: Revenast
cas: 85673-87-6
chemspiderid: 59080
dtxsid: DTXSID40234943
formula: C27H29N5O1
inchikey: NOSNJBQFOSLJCA-UHFFFAOYSA-N
norman_susdat_id: NS00039034
pubchem_cid: 65642
smiles: [Cl-].O=c1cc(n(n1CCCN1CCN(CC1)c1ncccc1)c1ccccc1)c1ccccc1.[H+]
inchi:
InChI=1S/C27H29N5O/c33-27-22-25(23-10-3-1-4-11-23)32(24-12-5-2-6-13-24)31(27)17-9-16-29-18-20-30(21-19-29)26-14-7-8-15-28-26/h1-8,10-15,22H,9,16-21H2


name: 2,4-Dichloro-6-(octadecyloxy)-1,3,5-triazine
cas: 85681-94-3
chemspiderid: 10144373
dtxsid: DTXSID20234961
formula: C21H37Cl2N3O1
inchikey: PEXGADKHPIKDFP-UHFFFAOYSA-N
norman_susdat_id: NS00039036
pubchem_cid: 11970992
smiles: CCCCCCCCCCCCCCCCCCOc1nc(Cl)nc(Cl)n1
inchi:
InChI=1S/C21H37Cl2N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-21-25-19(22)24-20(23)26-21/h2-18H2,1H3


name: 4-(3,6-Bis(diethylamino)-9H-xanthen-9-yl)benzene-1,3-disulphonic acid
cas: 85681-99-8
chemspiderid: 2287673
dtxsid: DTXSID40234963
formula: C27H32N2O7S2
inchikey: ZMQJXVGDHQCYTO-UHFFFAOYSA-N
norman_susdat_id: NS00039038
pubchem_cid: 3020898
smiles: CCN(CC)c1cc2c(cc1)C(c1c(O2)cc(cc1)N(CC)CC)c1c(cc(cc1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C27H32N2O7S2/c1-5-28(6-2)18-9-12-21-24(15-18)36-25-16-19(29(7-3)8-4)10-13-22(25)27(21)23-14-11-20(37(30,31)32)17-26(23)38(33,34)35/h9-17,27H,5-8H2,1-4H3,(H,30,31,32)(H,33,34,35)


name: Tedizolid phosphate
cas: 856867-55-5
chebiid: CHEBI:83326
dtxsid: DTXSID30234977
formula: C17H16FN6O6P
inchikey: QCGUSIANLFXSGE-GFCCVEGCSA-N
norman_susdat_id: NS00072496
pubchem_cid: 11476460
smiles: Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)cn2)n1
inchi:
InChI=1S/C17H16FN6O6P/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(30-17(24)25)9-29-31(26,27)28/h2-7,12H,8-9H2,1H3,(H2,26,27,28)/t12-/m1/s1


name: 1,3-bis(2,6-dimethylphenoxy)propan-2-ol
cas: 856976-65-3
chemspiderid: 16146899
formula: C19H24O3
inchikey: YAVQFOAXBHRSBB-UHFFFAOYSA-N
norman_susdat_id: NS00008105
pubchem_cid: 23120838
smiles: Cc1cccc(C)c1OCC(O)COc1c(C)cccc1C
inchi:
InChI=1S/C19H24O3/c1-13-7-5-8-14(2)18(13)21-11-17(20)12-22-19-15(3)9-6-10-16(19)4/h5-10,17,20H,11-12H2,1-4H3


name: 11alpha,17,21-Trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione
cas: 85700-75-0
chemspiderid: 9134929
dtxsid: DTXSID10234990
formula: C22H30O5
inchikey: WNYLPFCKNQAAMB-OWUXUVPTSA-N
norman_susdat_id: NS00039040
pubchem_cid: 10959713
smiles: CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)CO
inchi:
InChI=1S/C22H30O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-17,19,23,25,27H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19+,20-,21+,22-/m1/s1


name: Calcium bis[4-[[1-[[(4-methylphenyl)amino]carbonyl]-2-oxopropyl]azo]-3-nitrobenzenesulphonate]
cas: 85702-52-9
dtxsid: DTXSID801006297
formula: C17H17N4O7S
inchikey: KAPVBSSUEGFASX-UHFFFAOYSA-L
norman_susdat_id: NS00064581
pubchem_cid: NA
inchi:
InChI=1/2C17H16N4O7S.Ca/c2*1-10-3-5-12(6-4-10)18-17(23)16(11(2)22)20-19-14-8-7-13(29(26,27)28)9-15(14)21(24)25;/h2*3-9,16H,1-2H3,(H,18,23)(H,26,27,28);/q;;+2/p-2

smiles:
[Ca+2].O=C(NC1=CC=C(C=C1)C)C(N=NC2=CC=C(C=C2[N+](=O)[O-])S(=O)(=O)[O-])C(=O)C.O=C(NC1=CC=C(C=C1)C)C(N=NC2=CC=C(C=C2[N+](=O)[O-])S(=O)(=O)[O-])C(=O)C


name: Strontium 3-nitro-4-[[1-(phenylcarbamoyl)acetonyl]azo]benzenesulphonate
cas: 85702-53-0
formula: C16H14N4O7S.1/2Sr
inchikey: IQKRSRCCAZSOHO-UHFFFAOYSA-L
norman_susdat_id: NS00092497
inchi:
InChI=1/2C16H14N4O7S.Sr/c2*1-10(21)15(16(22)17-11-5-3-2-4-6-11)19-18-13-8-7-12(28(25,26)27)9-14(13)20(23)24;/h2*2-9,15H,1H3,(H,17,22)(H,25,26,27);/q;;+2/p-2

smiles:
[Sr+2].CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2.CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S([O-])(=O)=O)C(=O)Nc2ccccc2


cas: 85702-54-1
formula: C25H20ClN3O6S.1/2Ca
inchikey: AGVXFPVRUAJHDU-UHFFFAOYSA-L
norman_susdat_id: NS00092498
name:
Calcium bis[6-chloro-4-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl]azo]toluene-3-sulphonate]

inchi:
InChI=1/2C25H20ClN3O6S.Ca/c2*1-14-11-22(36(32,33)34)20(13-18(14)26)28-29-23-16-8-4-3-7-15(16)12-17(24(23)30)25(31)27-19-9-5-6-10-21(19)35-2;/h2*3-13,30H,1-2H3,(H,27,31)(H,32,33,34);/q;;+2/p-2

smiles:
[Ca+2].Cc1cc(c(cc1Cl)N=Nc3c4ccccc4cc(C(=O)Nc2ccccc2OC)c3O)S([O-])(=O)=O.COc4ccccc4NC(=O)c3cc1ccccc1c(N=Nc2cc(Cl)c(C)cc2S([O-])(=O)=O)c3O


name: Dibutylbis[(3,5,5-trimethylhexanoyl)oxy]stannane
cas: 85702-55-2
formula: C26H52O4Sn
inchikey: FDPOYLKSLUMJRE-UHFFFAOYSA-L
norman_susdat_id: NS00064686
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CC(C)CC(C)(C)C)(CCCC)CCCC)CC(C)CC(C)(C)C
inchi:
InChI=1/2C9H18O2.2C4H9.Sn/c2*1-7(5-8(10)11)6-9(2,3)4;2*1-3-4-2;/h2*7H,5-6H2,1-4H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC26H52O4Sn/c1-11-13-15-31(16-14-12-2,29-23(27)17-21(3)19-25(5,6)7)30-24(28)18-22(4)20-26(8,9)10/h21-22H,11-20H2,1-10H3


name: 2-hydroxyethyl 4-[[dibutyl[(1-oxododecyl)oxy]stannyl]oxy]-4-oxobut-2-enoate
cas: 85702-56-3
formula: C26H48O7Sn
inchikey: GLCIBGCASUVDTQ-UHFFFAOYSA-L
norman_susdat_id: NS00064589
pubchem_cid: 53424627
smiles: O=C(OCCO)C=CC(=O)O[Sn](OC(=O)CCCCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/C12H24O2.C6H8O5.2C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;7-3-4-11-6(10)2-1-5(8)9;2*1-3-4-2;/h2-11H2,1H3,(H,13,14);1-2,7H,3-4H2,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC26H48O7Sn/c1-4-7-10-11-12-13-14-15-16-17-25(29)32-34(22-8-5-2,23-9-6-3)33-26(30)19-18-24(28)31-21-20-27/h18-19,27H,4-17,20-23H2,1-3H3


name: 1,1,3,3-tetrabutyl-1,3-bis[(1-oxohexadecyl)oxy]distannoxane
cas: 85702-57-4
dtxsid: DTXSID70234991
formula: C48H98O5Sn2
inchikey: MFUSGYGMIFRGOX-UHFFFAOYSA-L
norman_susdat_id: NS00064687
pubchem_cid: 53421418
smiles: O=C(O[Sn](O[Sn](OC(=O)CCCCCCCCCCCCCCC)(CCCC)CCCC)(CCCC)CCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/2C16H32O2.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;4*1-3-4-2;;;/h2*2-15H2,1H3,(H,17,18);4*1,3-4H2,2H3;;;/q;;;;;;;2*+1/p-2/rC48H98O5Sn2/c1-7-13-19-21-23-25-27-29-31-33-35-37-39-41-47(49)51-54(43-15-9-3,44-16-10-4)53-55(45-17-11-5,46-18-12-6)52-48(50)42-40-38-36-34-32-30-28-26-24-22-20-14-8-2/h7-46H2,1-6H3


name: (1R-(1alpha,2beta,5alpha))-5-Methyl-2-(1-methylethyl)cyclohexyl (2-methoxyphenoxy)acetate
cas: 85702-60-9
chemspiderid: 57523404
dtxsid: DTXSID30234992
formula: C19H28O4
inchikey: FFAHKNVQHACZBR-DAYGRLMNSA-N
norman_susdat_id: NS00039041
pubchem_cid: 56842582
smiles: COc1ccccc1OCC(=O)OC1CC(C)CCC1C(C)C
inchi:
InChI=1S/C19H28O4/c1-13(2)15-10-9-14(3)11-18(15)23-19(20)12-22-17-8-6-5-7-16(17)21-4/h5-8,13-15,18H,9-12H2,1-4H3/t14-,15+,18+/m0/s1


name: Estra-1,3,5(10)-triene-3,17beta-diol 17-(10-undecenoate)
cas: 85702-61-0
chemspiderid: 21165111
dtxsid: DTXSID90234993
formula: C29H42O3
inchikey: VJTIEHBTPQORML-GVGNIZHQSA-N
norman_susdat_id: NS00039042
pubchem_cid: 56842583
smiles: CC12CCC3C(CCc4c3ccc(O)c4)C1CCC2OC(=O)CCCCCCCCC=C
inchi:
InChI=1S/C29H42O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h3,13,15,20,24-27,30H,1,4-12,14,16-19H2,2H3/t24-,25-,26+,27+,29-/m1/s1


name: 17-beta-Hydroxyestr-4-en-3-one 17-(undec-10-enoate)
cas: 85702-62-1
chemspiderid: 8653861
dtxsid: DTXSID50234994
formula: C29H44O3
inchikey: FZHPIXXLEHKOKS-MVTMSODMSA-N
norman_susdat_id: NS00039043
pubchem_cid: 10478452
smiles: CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2OC(=O)CCCCCCCCC=C
inchi:
InChI=1S/C29H44O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h3,20,23-27H,1,4-19H2,2H3/t23-,24-,25-,26-,27-,29+/m0/s1


cas: 85702-63-2
dtxsid: DTXSID10234995
formula: C45H21N5O8
inchikey: RPTSTJLKLBROIE-UHFFFAOYSA-N
norman_susdat_id: NS00065887
pubchem_cid: NA
name:
3-[[4-amino-3-(5,10-dihydro-5,10-dioxoanthra[2,3-d]oxazol-2-yl)-9,10-dihydro-9,10-dioxo-1-anthryl]amino]naphth[2,3-f]quinoxaline-2,7,12(1H)-trione

inchi:
InChI=1/C45H21N5O8/c46-35-27(45-49-29-15-25-26(17-31(29)58-45)39(53)19-8-2-1-7-18(19)38(25)52)16-30(33-34(35)42(56)23-12-6-5-11-22(23)41(33)55)48-43-44(57)50-36-28(47-43)14-13-24-32(36)40(54)21-10-4-3-9-20(21)37(24)51/h1-17H,46H2,(H,47,48)(H,50,57)

smiles:
O=C1NC2=C(N=C1NC=3C=C(C4=NC5=CC=6C(=O)C=7C=CC=CC7C(=O)C6C=C5O4)C(N)=C8C(=O)C=9C=CC=CC9C(=O)C38)C=CC=%10C(=O)C=%11C=CC=CC%11C(=O)C%102


cas: 85702-66-5
formula: C49H21N3O7
inchikey: JSUZPQSLGIHREM-UHFFFAOYSA-N
norman_susdat_id: NS00064688
pubchem_cid: 57354707
name:
19-(benzoxazol-2-yl)-16,23-dihydronaphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexone

inchi:
InChI=1/C49H21N3O7/c53-24-12-9-20-17-29-21(15-23(20)16-24)10-14-28-35-38-37-33(54)19-31-36(46(56)27-13-11-22(18-30(27)45(31)55)49-50-32-7-3-4-8-34(32)59-49)43(37)52-44(38)40-39(42(35)51-41(28)29)47(57)25-5-1-2-6-26(25)48(40)58/h1-18,52H,19H2

smiles:
O=C1C=CC2=CC=3C(C=CC=4C3N=C5C=6C(=O)C=7C=CC=CC7C(=O)C6C=8NC=9C=%10C(=O)C%11=CC=C(C=C%11C(=O)C%10CC(=O)C9C8C54)C%12=NC%13=CC=CC=C%13O%12)=CC2=C1


cas: 85702-69-8
dtxsid: DTXSID70234996
formula: C30H26F6N4O2
inchikey: WRYWRWYLEHDHGS-UHFFFAOYSA-N
norman_susdat_id: NS00064590
pubchem_cid: 3020901
smiles: O=C(OCCN1CCN(C2=CC=C(C=C2)C(F)(F)F)CC1)C=3C=CC=CC3NC=4C=CN=C5C=C(C=CC54)C(F)(F)F
name:
2-[4-(a,a,a-trifluoro-p-tolyl)-1-piperazinyl]ethyl o-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoate

inchi:
InChI=1/C30H26F6N4O2/c31-29(32,33)20-5-8-22(9-6-20)40-15-13-39(14-16-40)17-18-42-28(41)24-3-1-2-4-25(24)38-26-11-12-37-27-19-21(30(34,35)36)7-10-23(26)27/h1-12,19H,13-18H2,(H,37,38)


name: dibutylbis[(1-oxoisooctyl)oxy]stannane
cas: 85702-74-5
dtxsid: DTXSID50234999
formula: C24H48O4Sn
inchikey: SHRAEISUGISTAR-UHFFFAOYSA-L
norman_susdat_id: NS00113343
smiles: CCCC[Sn](CCCC)(OC(=O)CCCCC(C)C)OC(=O)CCCCC(C)C
inchi:
InChI=1S/2C8H16O2.2C4H9.Sn/c2*1-7(2)5-3-4-6-8(9)10;2*1-3-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2


name: 2,2,4,4-tetrabutyl-7-hydroxy-1,3,5,2,4-trioxadistannonane-6,9-dione
cas: 85702-85-8
formula: C20H40O6Sn2
inchikey: MYSOUECRFAEIOD-UHFFFAOYSA-L
norman_susdat_id: NS00064591
pubchem_cid: 16684529
smiles: O=C1O[Sn](O[Sn](OC(=O)C(O)C1)(CCCC)CCCC)(CCCC)CCCC
inchi:
InChI=1/C4H6O5.4C4H9.O.2Sn/c5-2(4(8)9)1-3(6)7;4*1-3-4-2;;;/h2,5H,1H2,(H,6,7)(H,8,9);4*1,3-4H2,2H3;;;/q;;;;;;2*+1/p-2/rC20H40O6Sn2/c1-5-9-13-27(14-10-6-2)24-19(22)17-18(21)20(23)25-28(26-27,15-11-7-3)16-12-8-4/h18,21H,5-17H2,1-4H3


