# cl_id

name: 4-[[(2,3-dihydro-2-methyl-1H-indol-1-yl)imino]methyl]-1-methylquinolinium acetate
cas: 83968-98-3
formula: C20H20N3.C2H3O2
inchikey: KAJZFTITULYPDY-UHFFFAOYSA-M
norman_susdat_id: NS00090779
smiles: [O-]C(C)=O.C[n+]4ccc(C=NN1c2ccccc2CC1C)c3ccccc34
inchi:
InChI=1/C20H20N3.C2H4O2/c1-15-13-16-7-3-5-9-19(16)23(15)21-14-17-11-12-22(2)20-10-6-4-8-18(17)20;1-2(3)4/h3-12,14-15H,13H2,1-2H3;1H3,(H,3,4)/q+1;/p-1


name: [2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium hydrogen sulphate
cas: 83968-99-4
formula: C20H25N6O2.HO4S
inchikey: GKGJGEPJBSKTNZ-UHFFFAOYSA-M
norman_susdat_id: NS00090335
smiles: [H+].[O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c2ccc(N=Nc1ccc(cc1C#N)[N+]([O-])=O)cc2
inchi:
InChI=1/C20H25N6O2.H2O4S.H2/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;1-5(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-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-5-nitro-3H-indolium hydrogen sulphate
cas: 83969-01-1
dtxsid: DTXSID201004229
formula: C20H24N4O3
inchikey: RYINFZSDRGHFGD-UHFFFAOYSA-M
norman_susdat_id: NS00060541
pubchem_cid: NA
smiles: [H+].O=[N+]([O-])C=1C=CC2=C(C1)C(C(C=NN(C3=CC=C(OC)C=C3)C)=[N+]2C)(C)C.O=S(=O)([O-])[O-]
inchi:
InChI=1/C20H23N4O3.H2O4S.H2/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;(H2,1,2,3,4);1H/q+1;;+1/p-2


name: 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-5-nitro-3H-indolium sulphate (2:1)
cas: 83969-02-2
formula: C20H23N4O3.1/2O4S
inchikey: PFSFRRGENKHDMR-UHFFFAOYSA-L
norman_susdat_id: NS00090780
inchi:
InChI=1/2C20H23N4O3.H2O4S/c2*1-20(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/h2*6-13H,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
[O-]S([O-])(=O)=O.COc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccc(cc2C3(C)C)[N+]([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 acetate
cas: 83969-03-3
formula: C20H23N4O3.C2H3O2
inchikey: VQCWNBBCMOITIQ-UHFFFAOYSA-M
norman_susdat_id: NS00090336
smiles: [O-]C(C)=O.COc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccc(cc2C3(C)C)[N+]([O-])=O
inchi:
InChI=1/C20H23N4O3.C2H4O2/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;1-2(3)4/h6-13H,1-5H3;1H3,(H,3,4)/q+1;/p-1


name: 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-5-nitro-3H-indolium methyl sulphate
cas: 83969-04-4
dtxsid: DTXSID901004232
formula: C20H24N4O3
inchikey: WVKDWRJKWRIBER-UHFFFAOYSA-N
norman_susdat_id: NS00060631
pubchem_cid: NA
smiles: O=[N+]([O-])C=1C=CC2=C(C1)C(C(C=NNCC3=CC=C(OC)C=C3)=[N+]2C)(C)C.O=S(=O)([O-])OC
inchi:
InChI=1/C20H22N4O3.CH4O4S/c1-20(2)17-11-15(24(25)26)7-10-18(17)23(3)19(20)13-22-21-12-14-5-8-16(27-4)9-6-14;1-5-6(2,3)4/h5-11,13H,12H2,1-4H3;1H3,(H,2,3,4)


cas: 83969-05-5
formula: C29H29N2O.H2O4P
inchikey: PUABAUAVQPCTAH-UHFFFAOYSA-K
norman_susdat_id: NS00090380
smiles: COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\C=C\c3c(c4ccccc4)n(C)c5ccccc35.[O-]P(=O)([O-])[O-]
name:
5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium dihydrogen phosphate

inchi:
InChI=1/C29H29N2O.H3O4P/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;(H3,1,2,3,4)/q+1;/p-3


name: 5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium acetate
cas: 83969-06-6
formula: C29H29N2O.C2H3O2
inchikey: GFMILANCGJPXTG-UHFFFAOYSA-M
norman_susdat_id: NS00090781
smiles: COc1ccc2c(c1)C(C)(C)C(=[N+]2C)\C=C\c3c(c4ccccc4)n(C)c5ccccc35.CC(=O)[O-]
inchi:
InChI=1/C29H29N2O.C2H4O2/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;1-2(3)4/h6-19H,1-5H3;1H3,(H,3,4)/q+1;/p-1


name: 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)vinyl]-3H-indolium dihydrogen phosphate
cas: 83969-07-7
formula: C22H23N2.H2O4P
inchikey: POTNGOZAHASYEF-UHFFFAOYSA-L
norman_susdat_id: NS00090381
smiles: Cc1[nH]c2ccccc2c1\C=C\C3=[N+](C)c4ccccc4C3(C)C.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C22H22N2.H3O4P/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;1-5(2,3)4/h5-14H,1-4H3;(H3,1,2,3,4)/p-2


name: 1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-3H-indolium acetate
cas: 83969-08-8
formula: C28H27N2.C2H3O2
inchikey: JUUWFNDMFKASIC-UHFFFAOYSA-M
norman_susdat_id: NS00090382
smiles: CC(=O)[O-].C[N+]1=C(\C=C\c2c(c3ccccc3)n(C)c4ccccc24)C(C)(C)c5ccccc15
inchi:
InChI=1/C28H27N2.C2H4O2/c1-28(2)23-15-9-11-17-25(23)29(3)26(28)19-18-22-21-14-8-10-16-24(21)30(4)27(22)20-12-6-5-7-13-20;1-2(3)4/h5-19H,1-4H3;1H3,(H,3,4)/q+1;/p-1


name: 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
cas: 83969-09-9
formula: C22H26ClN2.H2O4P
inchikey: SUFUIVWPRIQUCS-UHFFFAOYSA-K
norman_susdat_id: NS00090394
smiles: CN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C22H26ClN2.H3O4P/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(2,3)4/h5-14H,15-16H2,1-4H3;(H3,1,2,3,4)/q+1;/p-3


name: 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate
cas: 83969-10-2
formula: C22H26ClN2.HO4S
inchikey: HGWJXALLBZWCQZ-UHFFFAOYSA-L
norman_susdat_id: NS00090110
smiles: CN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C22H26ClN2.H2O4S/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(2,3)4/h5-14H,15-16H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2


name: 2-[2-[4-(diethylammonio)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium oxalate
cas: 83969-11-3
formula: C23H29N2.C2HO4
inchikey: BSGDWLGKCUSZNT-UHFFFAOYSA-M
norman_susdat_id: NS00090782
smiles: CC[NH+](CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]C(=O)C(=O)[O-]
inchi:
InChI=1/C23H29N2.C2H2O4/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;3-1(4)2(5)6/h8-17H,6-7H2,1-5H3;(H,3,4)(H,5,6)/q+1;/p-1


name: 5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium methyl sulphate
cas: 83969-12-4
formula: C17H27N6S.CH3O4S
inchikey: MLTFWXODZCFGQN-UHFFFAOYSA-M
norman_susdat_id: NS00090115
smiles: C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C.[O-]S(=O)(=O)OC
inchi:
InChI=1/C17H27N6S.CH4O4S/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;1-5-6(2,3)4/h8-13H,1-7H3;1H3,(H,2,3,4)/q+1;/p-1


name: Bis[5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium] sulphate
cas: 83969-13-5
formula: C17H27N6S.1/2O4S
inchikey: MTZFWHFMSVYUOF-UHFFFAOYSA-L
norman_susdat_id: NS00090344
inchi:
InChI=1/2C17H27N6S.H2O4S/c2*1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;1-5(2,3)4/h2*8-13H,1-7H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C.[O-]S([O-])(=O)=O.CN(C)c1ccc(cc1)N=Nc2sc(n[n+]2C)N(C(C)C)C(C)C


name: 5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium acetate
cas: 83969-14-6
formula: C17H27N6S.C2H3O2
inchikey: IZQNFRQIJJQVDE-UHFFFAOYSA-M
norman_susdat_id: NS00090345
smiles: C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C.[O-]C(C)=O
inchi:
InChI=1/C17H27N6S.C2H4O2/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;1-2(3)4/h8-13H,1-7H3;1H3,(H,3,4)/q+1;/p-1


name: [2-[[4-[(2,6-dibromo-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium hydrogen sulphate
cas: 83969-16-8
formula: C19H24Br2N5O2.HO4S
inchikey: DNVCRFUNMNNSNG-UHFFFAOYSA-M
norman_susdat_id: NS00090346
smiles: [H+].Brc2cc(cc(Br)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S([O-])(=O)=O
inchi:
InChI=1/C19H24Br2N5O2.H2O4S.H2/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(2,3)4;/h6-9,12-13H,5,10-11H2,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


name: Bis[[2-[[4-[(2,6-dibromo-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium] sulphate
cas: 83969-17-9
formula: C19H25Br2N5O2
inchikey: YWUPBEPVRFECQB-UHFFFAOYSA-L
norman_susdat_id: NS00060042
pubchem_cid: 44148328
inchi:
InChI=1/2C19H24Br2N5O2.H2O4S/c2*1-5-24(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(2,3)4/h2*6-9,12-13H,5,10-11H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
O=[N+]([O-])C1=CC(Br)=C(N=NC2=CC=C(C=C2)N(CC)CC[N+](C)(C)C)C(Br)=C1.O=[N+]([O-])C1=CC(Br)=C(N=NC2=CC=C(C=C2)N(CC)CC[N+](C)(C)C)C(Br)=C1.O=S(=O)([O-])[O-]


name: 2-[(4-amino-2-chlorophenyl)azo]-1,3-dimethyl-1H-imidazolium methyl sulphate
cas: 83969-19-1
dtxsid: DTXSID101004240
formula: C11H14ClN5
inchikey: SBBPMLZRZZCUCL-UHFFFAOYSA-N
norman_susdat_id: NS00060043
pubchem_cid: 57354103
smiles: O=S(=O)([O-])OC.ClC1=CC(N)=CC=C1N=NC2N(C=C[NH+]2C)C
inchi:
InChI=1/C11H14ClN5.CH4O4S/c1-16-5-6-17(2)11(16)15-14-10-4-3-8(13)7-9(10)12;1-5-6(2,3)4/h3-7,11H,13H2,1-2H3;1H3,(H,2,3,4)


cas: 83969-21-5
formula: C21H23ClN3.1/2O4S
inchikey: ZHBVIQCXIWMIGA-UHFFFAOYSA-L
norman_susdat_id: NS00090783
name:
2-[1-(2-chlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium sulphate (2:1)

inchi:
InChI=1/2C21H23ClN3.H2O4S/c2*1-14-13-17(23-25(14)19-12-8-6-10-16(19)22)20-21(2,3)15-9-5-7-11-18(15)24(20)4;1-5(2,3)4/h2*5-12,14H,13H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
CC1CC(=NN1c2ccccc2Cl)C3=[N+](C)c4ccccc4C3(C)C.CC5CC(=NN5c6ccccc6Cl)C7=[N+](C)c8ccccc8C7(C)C.[O-]S(=O)(=O)[O-]


cas: 83969-22-6
dtxsid: DTXSID501004242
formula: C21H23ClN3
inchikey: LAKBXIXZNUDTOL-UHFFFAOYSA-L
norman_susdat_id: NS00060044
pubchem_cid: 44146501
smiles: O=S(=O)([O-])[O-].ClC=1C=CC=CC1N2N=C(C3=[N+](C=4C=CC=CC4C3(C)C)C)CC2C
name:
2-[1-(2-chlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate

inchi:
InChI=1/C21H23ClN3.H2O4S/c1-14-13-17(23-25(14)19-12-8-6-10-16(19)22)20-21(2,3)15-9-5-7-11-18(15)24(20)4;1-5(2,3)4/h5-12,14H,13H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2


name: 2-[1-(2-chlorophenyl)-4,5-dihydro-5-methyl-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium acetate
cas: 83969-23-7
formula: C21H23ClN3.C2H3O2
inchikey: WWRSZAFXMLAGAV-UHFFFAOYSA-M
norman_susdat_id: NS00090116
smiles: CC1CC(=NN1c2ccccc2Cl)C3=[N+](C)c4ccccc4C3(C)C.CC(=O)[O-]
inchi:
InChI=1/C21H23ClN3.C2H4O2/c1-14-13-17(23-25(14)19-12-8-6-10-16(19)22)20-21(2,3)15-9-5-7-11-18(15)24(20)4;1-2(3)4/h5-12,14H,13H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


name: Cobalt bis(nonylphenolate)
cas: 83970-30-3
formula: C15H24O.1/2Co
inchikey: NLSLBCXJUFEEQK-UHFFFAOYSA-L
norman_susdat_id: NS00090396
smiles: [Co+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-]
inchi:
InChI=1/2C15H24O.Co/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;/q;;+2/p-2


name: Nelotanserin
cas: 839713-36-9
dtxsid: DTXSID40232868
formula: C18H15BrF2N4O2
inchikey: COSPVUFTLGQDQL-UHFFFAOYSA-N
norman_susdat_id: NS00072232
pubchem_cid: 11683556
smiles: COc1ccc(NC(=O)Nc2ccc(F)cc2F)cc1-c1c(Br)cnn1C
inchi:
InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26)


name: 2-(Hexadecanoylamino)ethane-1-sulfonic acid
cas: 83982-06-3
chebiid: CHEBI:132477
chemspiderid: 14435932
dtxsid: DTXSID50561075
formula: C18H37N1O4S1
inchikey: LPDJCYFKKSLKRO-UHFFFAOYSA-N
norman_susdat_id: NS00017201
pubchem_cid: 14504290
smiles: CCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O
inchi:
InChI=1S/C18H37NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)19-16-17-24(21,22)23/h2-17H2,1H3,(H,19,20)(H,21,22,23)


name: 3ß,17-dihydroxypregn-5-en-20-one 17-acetate 3-formate
cas: 83984-86-5
dtxsid: DTXSID401004249
formula: C24H34O5
inchikey: MPCDURSOWQINER-IWMXCVPLSA-N
norman_susdat_id: NS00060046
pubchem_cid: 44144951
smiles: O=COC1CC2=CCC3C(CCC4(C)C3CCC4(OC(=O)C)C(=O)C)C2(C)CC1
inchi:
InChI=1/C24H34O5/c1-15(26)24(29-16(2)27)12-9-21-19-6-5-17-13-18(28-14-25)7-10-22(17,3)20(19)8-11-23(21,24)4/h5,14,18-21H,6-13H2,1-4H3


cas: 83984-87-6
formula: C22H18N5O16PS4.5H3N
inchikey: QCJMJYGGYDQEIH-UHFFFAOYSA-N
norman_susdat_id: NS00090347
name:
Pentaammonium hydrogen 4-amino-3-[(2,5-disulphonatophenyl)azo]-5-hydroxy-6-[(3-phosphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C22H18N5O16PS4.5H3N.H2/c23-19-18-10(7-17(48(41,42)43)21(22(18)28)27-24-11-2-1-3-12(8-11)44(29,30)31)6-16(47(38,39)40)20(19)26-25-14-9-13(45(32,33)34)4-5-15(14)46(35,36)37;;;;;;/h1-9,28H,23H2,(H2,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);5*1H3;1H/q;;;;;;+1/p-1

smiles:
[H+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].O=P([O-])([O-])c4cc(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)ccc4


cas: 83984-92-3
formula: C17H27N6S.xCl2Zn.Cl
inchikey: VAPRHDPLMDUQLM-UHFFFAOYSA-K
norman_susdat_id: NS00090405
smiles: [Zn+2].[Cl-].[Cl-].[Cl-].C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C
name:
5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium chloride, compound with zinc dichloride

inchi:
InChI=1/C17H27N6S.3ClH.Zn/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;;;;/h8-13H,1-7H3;3*1H;/q+1;;;;+2/p-3


name: Chlorproethazine
cas: 84-01-5
chebiid: CHEBI:135464
chemspiderid: 59173
dtxsid: DTXSID80232882
formula: C19H23Cl1N2S1
inchikey: DBOUGBAQLIXZLV-UHFFFAOYSA-N
norman_susdat_id: NS00009848
pubchem_cid: 65750
smiles: CCN(CC)CCCN1c2ccccc2Sc2ccc(Cl)cc12
inchi:
InChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3


name: Prochlorperazine dimaleate
cas: 84-02-6
chebiid: CHEBI:8436
dtxsid: DTXSID1049015
formula: C28H32ClN3O8S
inchikey: DSKIOWHQLUWFLG-SPIKMXEPSA-N
norman_susdat_id: NS00076198
smiles: OC(=O)C=C/C(O)=O.OC(=O)C=C/C(O)=O.CN1CCN(CCCN2C3=C(SC4=C2C=C(Cl)C=C4)C=CC=C3)CC1
inchi:
InChI=1S/C20H24ClN3S.2C4H4O4/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;2*5-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-


name: Pipamazine
cas: 84-04-8
chebiid: CHEBI:135641
chemspiderid: 6503
dtxsid: DTXSID3023477
formula: C21H24Cl1N3O1S1
inchikey: OSJJYEUEJRVVOD-UHFFFAOYSA-N
norman_susdat_id: NS00038397
pubchem_cid: 6761
smiles: NC(=O)C1CCN(CCCN2c3c(Sc4c2cc(Cl)cc4)cccc3)CC1
inchi:
InChI=1S/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-19(17)27-20)11-3-10-24-12-8-15(9-13-24)21(23)26/h1-2,4-7,14-15H,3,8-13H2,(H2,23,26)


name: Thiopropazate
cas: 84-06-0
chebiid: CHEBI:59119
chemspiderid: 6504
dtxsid: DTXSID6023654
formula: C23H28Cl1N3O2S1
inchikey: AIUHRQHVWSUTGJ-UHFFFAOYSA-N
norman_susdat_id: NS00005784
pubchem_cid: 6762
smiles: CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
inchi:
InChI=1S/C23H28ClN3O2S/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27/h2-3,5-8,17H,4,9-16H2,1H3


name: Pyrathiazine
cas: 84-08-2
chebiid: CHEBI:135253
chemspiderid: 10198
dtxsid: DTXSID2046252
formula: C18H20N2S
inchikey: KJKJUXGEMYCCJN-UHFFFAOYSA-N
norman_susdat_id: NS00114092
pubchem_cid: 10646
smiles: C(CN1C2=CC=CC=C2SC2=CC=CC=C12)N1CCCC1
inchi:
InChI=1S/C18H20N2S/c1-3-9-17-15(7-1)20(14-13-19-11-5-6-12-19)16-8-2-4-10-18(16)21-17/h1-4,7-10H,5-6,11-14H2


name: Dienestrol diacetate
cas: 84-19-5
chemspiderid: 4707742
dtxsid: DTXSID9057840
formula: C22H22O4
inchikey: YWLLGDVBTLPARJ-OXAZHYLESA-N
norman_susdat_id: NS00038454
pubchem_cid: 5805243
smiles: C/C=C(C(=C/C)c1ccc(OC(=O)C)cc1)/c1ccc(OC(=O)C)cc1
inchi:
InChI=1S/C22H22O4/c1-5-21(17-7-11-19(12-8-17)25-15(3)23)22(6-2)18-9-13-20(14-10-18)26-16(4)24/h5-14H,1-4H3/b21-5-,22-6-


name: Adenosine 3'-phosphate monohydrate
cas: 84-21-9
formula: C10H14N5O7P
inchikey: HAWIDQLWSQBRQS-MCDZGGTQSA-L
norman_susdat_id: NS00079037
smiles: O.[O-]P([O-])(=O)O[C@@H]3[C@@H](CO)O[C@@H](n2cnc1c(N)ncnc12)[C@@H]3O
inchi:
InChI=1/C10H14N5O7P.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);1H2/p-2


name: Syrosingopine
cas: 84-36-6
chebiid: CHEBI:32175
chemspiderid: 6511
dtxsid: DTXSID9023629
formula: C35H42N2O11
inchikey: ZCDNRPPFBQDQHR-SSYATKPKSA-N
norman_susdat_id: NS00038492
pubchem_cid: 6769
inchi:
InChI=1S/C35H42N2O11/c1-7-46-35(40)48-31-26(42-3)12-18(13-27(31)43-4)33(38)47-28-14-19-17-37-11-10-22-21-9-8-20(41-2)15-24(21)36-30(22)25(37)16-23(19)29(32(28)44-5)34(39)45-6/h8-9,12-13,15,19,23,25,28-29,32,36H,7,10-11,14,16-17H2,1-6H3/t19-,23+,25-,28?,29+,32?/m1/s1

smiles:
CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)O[C@@H]1C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]([C@H]1OC)C(=O)OC


name: Acetamide, N-(3-chloro-2-anthraquinonyl)-
cas: 84-42-4
chemspiderid: 59901
dtxsid: DTXSID20232886
formula: C16H10Cl1N1O3
inchikey: AHCFUKJIRUAIDZ-UHFFFAOYSA-N
norman_susdat_id: NS00038502
pubchem_cid: 66530
smiles: CC(=O)Nc1c(Cl)cc2C(=O)c3c(cccc3)C(=O)c2c1
inchi:
InChI=1S/C16H10ClNO3/c1-8(19)18-14-7-12-11(6-13(14)17)15(20)9-4-2-3-5-10(9)16(12)21/h2-7H,1H3,(H,18,19)


name: 2-Hydroxy-11H-benzo(a)carbazole-3-carboxylic acid
cas: 84-43-5
chemspiderid: 59902
dtxsid: DTXSID80232887
formula: C17H11N1O3
inchikey: ONMDNQFBIVCMAS-UHFFFAOYSA-N
norman_susdat_id: NS00038512
pubchem_cid: 66531
smiles: OC(=O)c1cc2ccc3c([nH]c4c3cccc4)c2cc1O
inchi:
InChI=1S/C17H11NO3/c19-15-8-12-9(7-13(15)17(20)21)5-6-11-10-3-1-2-4-14(10)18-16(11)12/h1-8,18-19H,(H,20,21)


name: 2,7-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-
cas: 84-49-1
chemspiderid: 59904
dtxsid: DTXSID8058904
formula: C14H8O8S2
inchikey: OKONMFPEKSWGEU-UHFFFAOYSA-N
norman_susdat_id: NS00038521
pubchem_cid: 66533
smiles: OS(=O)(=O)c1cc2c(cc1)C(=O)c1ccc(cc1C2=O)S(=O)(=O)O
inchi:
InChI=1S/C14H8O8S2/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)


name: 2,6-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-
cas: 84-50-4
chebiid: CHEBI:85115
chemspiderid: 59905
dtxsid: DTXSID3058905
formula: C14H8O8S2
inchikey: MSSUFHMGCXOVBZ-UHFFFAOYSA-N
norman_susdat_id: NS00038524
pubchem_cid: 66534
smiles: [O-]S(=O)(=O)c1cc2c(cc1)C(=O)c1cc(ccc1C2=O)S(=O)(=O)[O-]
inchi:
InChI=1S/C14H8O8S2/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)


name: Cytidine 3'-monophosphate
cas: 84-52-6
chebiid: CHEBI:60875
dtxsid: DTXSID301004260
formula: C9H14N3O8P
inchikey: UOOOPKANIPLQPU-XVFCMESISA-L
norman_susdat_id: NS00041098
pubchem_cid: 7098661
smiles: O=C1N=C(N)C=CN1C2OC(CO)C(OP(=O)([O-])[O-])C2O
inchi:
InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/p-2


name: Uridine 3'-(dihydrogen phosphate)
cas: 84-53-7
formula: C9H13N2O9P
inchikey: FOGRQMPFHUHIGU-UHFFFAOYSA-N
norman_susdat_id: NS00041108
pubchem_cid: 5643
smiles: O=C1C=CN(C(=O)N1)C2OC(CO)C(OP(=O)(O)O)C2O
inchi:
InChI=1/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)


name: Viquidil
cas: 84-55-9
chebiid: CHEBI:135385
chemspiderid: 59176
formula: C20H24N2O2
inchikey: DKRSEIPLAZTSFD-LSDHHAIUSA-N
norman_susdat_id: NS00010032
pubchem_cid: 65753
smiles: COc1ccc2nccc(C(=O)CC[C@@H]3CCNC[C@@H]3C=C)c2c1
inchi:
InChI=1S/C20H24N2O2/c1-3-14-13-21-10-8-15(14)4-7-20(23)17-9-11-22-19-6-5-16(24-2)12-18(17)19/h3,5-6,9,11-12,14-15,21H,1,4,7-8,10,13H2,2H3/t14-,15+/m0/s1


name: Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
cas: 84-57-1
chemspiderid: 59907
dtxsid: DTXSID8058906
formula: C10H8Cl2N2O4S1
inchikey: KCEIVWKDBLAQKL-UHFFFAOYSA-N
norman_susdat_id: NS00038559
pubchem_cid: 66536
smiles: CC1=NN(C(=O)C1)c1c(Cl)cc(c(Cl)c1)S(=O)(=O)O
inchi:
InChI=1S/C10H8Cl2N2O4S/c1-5-2-10(15)14(13-5)8-3-7(12)9(4-6(8)11)19(16,17)18/h3-4H,2H2,1H3,(H,16,17,18)


name: Dicyclohexyl phthalate
cas: 84-61-7
chebiid: CHEBI:34693
chemspiderid: 6519
dtxsid: DTXSID5025021
formula: C20H26O4
inchikey: VOWAEIGWURALJQ-UHFFFAOYSA-N
norman_susdat_id: NS00004690
pubchem_cid: 6777
smiles: O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1
inchi:
InChI=1S/C20H26O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2


name: Butyl cyclohexyl phthalate
cas: 84-64-0
chemspiderid: 6521
dtxsid: DTXSID5024689
formula: C18H24O4
inchikey: BHKLONWXRPJNAE-UHFFFAOYSA-N
norman_susdat_id: NS00038592
pubchem_cid: 6779
smiles: CCCCOC(=O)c1c(cccc1)C(=O)OC1CCCCC1
inchi:
InChI=1S/C18H24O4/c1-2-3-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-9-5-4-6-10-14/h7-8,11-12,14H,2-6,9-10,13H2,1H3


name: Bis(2-ethylhexyl) cyclohexane-1,2-dicarboxylate
cas: 84-71-9
dtxsid: DTXSID40861657
formula: C24H44O4
inchikey: DIMOQAGSNHTROK-UHFFFAOYSA-N
norman_susdat_id: NS00041141
pubchem_cid: 6784
smiles: O=C(OCC(CC)CCCC)C1CCCCC1C(=O)OCC(CC)CCCC
inchi:
InChI=1/C24H44O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h19-22H,5-18H2,1-4H3


name: Dihexyl phthalate
cas: 84-75-3
chebiid: CHEBI:34678
chemspiderid: 6528
dtxsid: DTXSID6025068
formula: C20H30O4
inchikey: KCXZNSGUUQJJTR-UHFFFAOYSA-N
norman_susdat_id: NS00006086
pubchem_cid: 6786
smiles: CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC
inchi:
InChI=1S/C20H30O4/c1-3-5-7-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16-12-8-6-4-2/h9-10,13-14H,3-8,11-12,15-16H2,1-2H3


name: Dinonyl phthalate
cas: 84-76-4
chemspiderid: NA
dtxsid: DTXSID9047966
formula: C26H42O4
inchikey: DROMNWUQASBTFM-UHFFFAOYSA-N
norman_susdat_id: NS00022832
pubchem_cid: 6787
smiles: CCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCC
inchi:
InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3


name: Didecyl phthalate
cas: 84-77-5
chebiid: CHEBI:34676
chemspiderid: 6530
dtxsid: DTXSID3026512
formula: C28H46O4
inchikey: PGIBJVOPLXHHGS-UHFFFAOYSA-N
norman_susdat_id: NS00019631
pubchem_cid: 6788
smiles: CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC
inchi:
InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3


name: Butyl octyl phthalate
cas: 84-78-6
chemspiderid: 59911
dtxsid: DTXSID2052578
formula: C20H30O4
inchikey: MURWRBWZIMXKGC-UHFFFAOYSA-N
norman_susdat_id: NS00022833
pubchem_cid: 66540
smiles: CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCC
inchi:
InChI=1S/C20H30O4/c1-3-5-7-8-9-12-16-24-20(22)18-14-11-10-13-17(18)19(21)23-15-6-4-2/h10-11,13-14H,3-9,12,15-16H2,1-2H3


name: Phytonadione
cas: 84-80-0
chemspiderid: 4444124
dtxsid: DTXSID8023472
formula: C31H46O2
inchikey: MBWXNTAXLNYFJB-LKUDQCMESA-N
norman_susdat_id: NS00005166
pubchem_cid: 5280483
smiles: CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
inchi:
InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+


name: 1,5-Naphthalenedisulfonic acid, 3-[(4-amino-2-methylphenyl)azo]-
cas: 84-94-6
chemspiderid: 59917
dtxsid: DTXSID2058914
formula: C17H15N3O6S2
inchikey: XXZDPVOWJBCNQC-UHFFFAOYSA-N
norman_susdat_id: NS00038702
pubchem_cid: 66546
smiles: Cc1c(ccc(N)c1)N=Nc1cc2c(cccc2c(c1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C17H15N3O6S2/c1-10-7-11(18)5-6-15(10)20-19-12-8-14-13(17(9-12)28(24,25)26)3-2-4-16(14)27(21,22)23/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26)/b20-19+


name: Trimeprazine
cas: 84-96-8
chebiid: CHEBI:9725
chemspiderid: 5373
dtxsid: DTXSID9023708
formula: C18H22N2S1
inchikey: ZZHLYYDVIOPZBE-UHFFFAOYSA-N
norman_susdat_id: NS00008423
pubchem_cid: 5574
smiles: CC(CN(C)C)CN1c2ccccc2Sc2ccccc12
inchi:
InChI=1S/C18H22N2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3


name: Perazine
cas: 84-97-9
chebiid: CHEBI:59118
chemspiderid: 4582
dtxsid: DTXSID6048628
formula: C20H25N3S1
inchikey: WEYVCQFUGFRXOM-UHFFFAOYSA-N
norman_susdat_id: NS00006420
pubchem_cid: 4744
smiles: CN1CCN(CCCN2c3ccccc3Sc3ccccc23)CC1
inchi:
InChI=1S/C20H25N3S/c1-21-13-15-22(16-14-21)11-6-12-23-17-7-2-4-9-19(17)24-20-10-5-3-8-18(20)23/h2-5,7-10H,6,11-16H2,1H3


name: Ethyl N-acetyl-L-tyrosinate
cas: 840-97-1
chebiid: CHEBI:28828
dtxsid: DTXSID20877256
formula: C13H17NO4
inchikey: SKAWDTAMLOJQNK-LBPRGKRZSA-N
norman_susdat_id: NS00042415
pubchem_cid: 13289
smiles: O=C(OCC)C(NC(=O)C)CC1=CC=C(O)C=C1
inchi:
InChI=1/C13H17NO4/c1-3-18-13(17)12(14-9(2)15)8-10-4-6-11(16)7-5-10/h4-7,12,16H,3,8H2,1-2H3,(H,14,15)


cas: 84000-62-4
formula: C27H24ClN9O13S4
inchikey: XZLLBKAMQLLLGF-UHFFFAOYSA-K
norman_susdat_id: NS00061709
pubchem_cid: 11970760
name:
Trisodium 4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate

inchi:
InChI=1/C27H24ClN9O13S4.3Na/c1-15-23(24(38)37(36-15)18-6-8-19(9-7-18)52(41,42)43)35-34-21-14-17(5-10-22(21)53(44,45)46)30-27-32-25(28)31-26(33-27)29-16-3-2-4-20(13-16)51(39,40)12-11-50-54(47,48)49;;;/h2-10,13-14,23H,11-12H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,29,30,31,32,33);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC3=NC(Cl)=NC(=N3)NC4=CC=CC(=C4)S(=O)(=O)CCOS(=O)(=O)[O-])C5=CC=C(C=C5)S(=O)(=O)[O-]


cas: 84000-63-5
formula: C26H26ClN9O12S3
inchikey: JQVMYBSCZRPGFN-UHFFFAOYSA-L
norman_susdat_id: NS00060047
pubchem_cid: NA
name:
Disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate

inchi:
InChI=1/C26H26ClN9O12S3.2Na/c1-3-36-22(38)19(21(28)37)13(2)20(23(36)39)35-34-17-12-15(7-8-18(17)50(42,43)44)30-26-32-24(27)31-25(33-26)29-14-5-4-6-16(11-14)49(40,41)10-9-48-51(45,46)47;;/h4-8,11-12,39H,3,9-10H2,1-2H3,(H2,28,37)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(N)C=1C(=O)N(C(O)=C(N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC=3N=C(Cl)N=C(N3)NC4=CC=CC(=C4)S(=O)(=O)CCOS(=O)(=O)[O-])C1C)CC


name: N-[5-[bis(2-phenoxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]acetamide
cas: 84000-64-6
formula: C31H31BrN6O8
inchikey: RWKXIQVZDAZUIU-UHFFFAOYSA-N
norman_susdat_id: NS00060676
pubchem_cid: 3019568
smiles: O=C(NC=1C=C(C(OC)=CC1N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CCOC=3C=CC=CC3)CCOC=4C=CC=CC4)C
inchi:
InChI=1/C31H29BrN6O8/c1-21(39)33-26-19-28(36(13-15-45-23-9-5-3-6-10-23)14-16-46-24-11-7-4-8-12-24)30(44-2)20-27(26)34-35-31-25(32)17-22(37(40)41)18-29(31)38(42)43/h3-12,17-20H,13-16H2,1-2H3,(H,33,39)


name: N-[5-[bis(2-phenoxyethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]phenyl]acetamide
cas: 84000-65-7
formula: C30H29BrN6O7
inchikey: PASZXSYYSQWCKE-UHFFFAOYSA-N
norman_susdat_id: NS00061710
pubchem_cid: 3019569
smiles: O=C(NC1=CC(=CC=C1N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CCOC=3C=CC=CC3)CCOC=4C=CC=CC4)C
inchi:
InChI=1/C30H27BrN6O7/c1-21(38)32-28-19-22(12-13-27(28)33-34-30-26(31)18-23(36(39)40)20-29(30)37(41)42)35(14-16-43-24-8-4-2-5-9-24)15-17-44-25-10-6-3-7-11-25/h2-13,18-20H,14-17H2,1H3,(H,32,38)


cas: 84000-66-8
formula: C23H23N7S
inchikey: XNSSERKYNNFROD-UHFFFAOYSA-N
norman_susdat_id: NS00060048
pubchem_cid: 44146234
smiles: N#CC=1C=NC2=NSC(N=NC=3C=C4C(=CC3C)N(CCC#N)C(C)(C)CC4C)=C2C1
name:
6-[(5-cyanoisothiazolo[3,4-b]pyridin-3-yl)azo]-3,4-dihydro-2,2,4,7-tetramethyl-2H-quinoline-1-propiononitrile

inchi:
InChI=1/C23H23N7S/c1-14-8-20-17(15(2)11-23(3,4)30(20)7-5-6-24)10-19(14)27-28-22-18-9-16(12-25)13-26-21(18)29-31-22/h8-10,13,15H,5,7,11H2,1-4H3


name: 2-[[4-[(2-cyano-3-nitrophenyl)azo]-m-tolyl](2-cyanoethyl)amino]ethyl acetate
cas: 84000-67-9
formula: C21H21N6O4
inchikey: UUCVILFMYZKIOH-UHFFFAOYSA-N
norman_susdat_id: NS00060567
pubchem_cid: 3019570
smiles: N#CC=1C(N=NC2=CC=C(C=C2C)N(CCC#N)CCOC(=O)C)=CC=CC1[N+](=O)[O-]
inchi:
InChI=1/C21H20N6O4/c1-15-13-17(26(10-4-9-22)11-12-31-16(2)28)7-8-19(15)24-25-20-5-3-6-21(27(29)30)18(20)14-23/h3,5-8,13H,4,10-12H2,1-2H3


cas: 84000-68-0
formula: C28H23N5O19S6
inchikey: KUTFSISAXKZOFD-UHFFFAOYSA-I
norman_susdat_id: NS00060063
pubchem_cid: NA
name:
Pentasodium 2-[[8-amino-1-hydroxy-3,6-disulphonato-7-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-2-naphthyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C28H23N5O19S6.5Na/c29-24-23-14(11-21(55(40,41)42)25(24)32-30-15-3-1-4-16(13-15)53(35,36)10-9-52-58(49,50)51)12-22(56(43,44)45)26(27(23)34)33-31-19-8-7-17-18(28(19)57(46,47)48)5-2-6-20(17)54(37,38)39;;;;;/h1-8,11-13,34H,9-10,29H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])OCCS(=O)(=O)C=1C=CC=C(N=NC=2C(N)=C3C(O)=C(N=NC4=CC=C5C(C=CC=C5S(=O)(=O)[O-])=C4S(=O)(=O)[O-])C(=CC3=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C1


cas: 84000-69-1
formula: C22H24N6S
inchikey: GXFUXIFXTBCGTC-UHFFFAOYSA-N
norman_susdat_id: NS00060064
pubchem_cid: 25090857
smiles: N#CC=1C=NC2=NSC(N=NC=3C=C4C(=CC3C)N(CC)C(C)(C)CC4C)=C2C1
name:
3-[(1-ethyl-1,2,3,4-tetrahydro-2,2,4,7-tetramethyl-6-quinolyl)azo]isothiazolo[3,4-b]pyridine-5-carbonitrile

inchi:
InChI=1/C22H24N6S/c1-6-28-19-7-13(2)18(9-16(19)14(3)10-22(28,4)5)25-26-21-17-8-15(11-23)12-24-20(17)27-29-21/h7-9,12,14H,6,10H2,1-5H3


name: 2,2'-[azobis[[1,1'-biphenyl]-4,4'-diyl]]bis[anthra[2,1-d]oxazole-6,11-dione]
cas: 84000-70-4
formula: C54H28N4O6
inchikey: BUKOFNJUWJAAPU-UHFFFAOYSA-N
norman_susdat_id: NS00061714
pubchem_cid: 44145327
inchi:
InChI=1/C54H28N4O6/c59-47-37-5-1-3-7-39(37)49(61)45-41(47)25-27-43-51(45)63-53(55-43)33-13-9-29(10-14-33)31-17-21-35(22-18-31)57-58-36-23-19-32(20-24-36)30-11-15-34(16-12-30)54-56-44-28-26-42-46(52(44)64-54)50(62)40-8-4-2-6-38(40)48(42)60/h1-28H

smiles:
O=C1C=2C=CC=CC2C(=O)C3=C4OC(=NC4=CC=C13)C5=CC=C(C=C5)C6=CC=C(N=NC7=CC=C(C=C7)C8=CC=C(C=C8)C9=NC%10=CC=C%11C(=O)C=%12C=CC=CC%12C(=O)C%11=C%10O9)C=C6


cas: 84000-71-5
formula: C20H20N2O11S3.2Na
inchikey: FOZMACGKXZSFID-UHFFFAOYSA-L
norman_susdat_id: NS00090794
smiles: [Na+].[Na+].COc3cc(c(C)cc3N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O
name:
Disodium 4-hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalenesulphonate

inchi:
InChI=1/C20H20N2O11S3.2Na/c1-12-9-15(17(32-2)11-18(12)34(24,25)8-7-33-36(29,30)31)21-22-16-10-19(35(26,27)28)13-5-3-4-6-14(13)20(16)23;;/h3-6,9-11,23H,7-8H2,1-2H3,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2


name: Diheptyl 2,5,8,11-tetraoxadodecanedioate
cas: 84000-73-7
dtxsid: DTXSID801004265
formula: C22H42O8
inchikey: KQZRBBXZAHUJHP-UHFFFAOYSA-N
norman_susdat_id: NS00061715
pubchem_cid: 44148093
smiles: O=C(OCCOCCOCCOC(=O)OCCCCCCC)OCCCCCCC
inchi:
InChI=1/C22H42O8/c1-3-5-7-9-11-13-27-21(23)29-19-17-25-15-16-26-18-20-30-22(24)28-14-12-10-8-6-4-2/h3-20H2,1-2H3


name: Carbonic acid, (1-methylethylidene)di-4,1-phenylene di-2-propenyl ester
cas: 84000-75-9
chemspiderid: 152086
dtxsid: DTXSID1072898
formula: C23H24O6
inchikey: SZYLPVRUCVUHGB-UHFFFAOYSA-N
norman_susdat_id: NS00038372
pubchem_cid: 174353
smiles: CC(C)(c1ccc(OC(=O)OCC=C)cc1)c1ccc(OC(=O)OCC=C)cc1
inchi:
InChI=1S/C23H24O6/c1-5-15-26-21(24)28-19-11-7-17(8-12-19)23(3,4)18-9-13-20(14-10-18)29-22(25)27-16-6-2/h5-14H,1-2,15-16H2,3-4H3


name: 1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium thiocyanate
cas: 84000-76-0
formula: C21H21ClN5O2.CNS
inchikey: FESJLROWCGMGMK-UHFFFAOYSA-M
norman_susdat_id: NS00090417
smiles: [S-]C#N.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3
inchi:
InChI=1/C21H21ClN5O2.CHNS/c1-2-26(15-14-25-12-4-3-5-13-25)18-8-6-17(7-9-18)23-24-21-11-10-19(27(28)29)16-20(21)22;2-1-3/h3-13,16H,2,14-15H2,1H3;3H/q+1;/p-1


name: 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium thiocyanate
cas: 84000-77-1
formula: C23H26N3.CNS
inchikey: NWYWGJPLKDYSRM-UHFFFAOYSA-M
norman_susdat_id: NS00090140
smiles: CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[S-]C#N
inchi:
InChI=1/C23H26N3.CHNS/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;2-1-3/h5-6,8-15H,7,17H2,1-4H3;3H/q+1;/p-1


name: 1-[2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]pyridinium thiocyanate
cas: 84000-78-2
formula: C23H23N6S.CNS
inchikey: KUECKJHMALUIRD-UHFFFAOYSA-M
norman_susdat_id: NS00090803
smiles: [S-]C#N.CCN(CC[n+]1ccccc1)c2ccc(cc2)N=Nc3nc(ns3)c4ccccc4
inchi:
InChI=1/C23H23N6S.CHNS/c1-2-29(18-17-28-15-7-4-8-16-28)21-13-11-20(12-14-21)25-26-23-24-22(27-30-23)19-9-5-3-6-10-19;2-1-3/h3-16H,2,17-18H2,1H3;3H/q+1;/p-1


name: 3-[[4-[benzylmethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate
cas: 84000-80-6
formula: C18H22N6
inchikey: OOGUHHYHMMQXKH-UHFFFAOYSA-N
norman_susdat_id: NS00060590
pubchem_cid: 56842572
smiles: O=S(=O)([O-])OC.N(=NC1=N[NH+](C)CN1C)C2=CC=C(C=C2)N(C)CC=3C=CC=CC3
inchi:
InChI=1/C18H22N6.CH4O4S/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)19-20-18-21-24(3)14-23(18)2;1-5-6(2,3)4/h4-12H,13-14H2,1-3H3;1H3,(H,2,3,4)


name: 1,4-dimethyl-3-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate
cas: 84000-81-7
formula: C18H21N6.C2H3O2
inchikey: RBIINFBXCYCDKF-UHFFFAOYSA-N
norman_susdat_id: NS00090369
smiles: [O-]C(C)=O.CN(Cc1ccccc1)c2ccc(cc2)N=N\C3=N\[NH+](C)CN3C
inchi:
InChI=1/C18H22N6.C2H4O2/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)19-20-18-21-24(3)14-23(18)2;1-2(3)4/h4-12H,13-14H2,1-3H3;1H3,(H,3,4)


name: 1,4-dimethyl-5-[[4-[methylbenzylamino]phenyl]azo]-1H-1,2,4-triazolium acetate
cas: 84000-82-8
formula: C18H21N6.C2H3O2
inchikey: OWSBWTLLCYIMPP-UHFFFAOYSA-N
norman_susdat_id: NS00090141
smiles: CN3/C=N\[NH+](C)C3N=Nc1ccc(cc1)N(C)Cc2ccccc2.[O-]C(C)=O
inchi:
InChI=1/C18H22N6.C2H4O2/c1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;1-2(3)4/h4-12,14,18H,13H2,1-3H3;1H3,(H,3,4)


name: 1-[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium hydrogen sulphate
cas: 84000-83-9
formula: C22H21N6O2.HO4S
inchikey: IEVXLBLIHLMRBX-UHFFFAOYSA-M
norman_susdat_id: NS00090804
smiles: [H+].[O-]S([O-])(=O)=O.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(C#N)c3
inchi:
InChI=1/C22H21N6O2.H2O4S.H2/c1-2-27(15-14-26-12-4-3-5-13-26)20-8-6-19(7-9-20)24-25-22-11-10-21(28(29)30)16-18(22)17-23;1-5(2,3)4;/h3-13,16H,2,14-15H2,1H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


name: 1-[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium thiocyanate
cas: 84000-84-0
formula: C22H21N6O2.CNS
inchikey: CGCYCCVWEHZMEL-UHFFFAOYSA-M
norman_susdat_id: NS00090370
smiles: [S-]C#N.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(C#N)c3
inchi:
InChI=1/C22H21N6O2.CHNS/c1-2-27(15-14-26-12-4-3-5-13-26)20-8-6-19(7-9-20)24-25-22-11-10-21(28(29)30)16-18(22)17-23;2-1-3/h3-13,16H,2,14-15H2,1H3;3H/q+1;/p-1


name: Bis[3-[[4-[benzylmethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium] tetrachlorozincate(2-)
cas: 84000-94-2
formula: C18H21N6.1/2Cl4Zn
inchikey: WQMGVKXKDCXADC-UHFFFAOYSA-L
norman_susdat_id: NS00090805
inchi:
InChI=1/2C18H22N6.4ClH.Zn/c2*1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)19-20-18-21-24(3)14-23(18)2;;;;;/h2*4-12H,13-14H2,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C18H22N6.Cl4Zn/c2*1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)19-20-18-21-24(3)14-23(18)2;1-5(2,3)4/h2*4-12H,13-14H2,1-3H3;/q;;-2/p+2

smiles:
Cl[Zn-2](Cl)(Cl)Cl.CN(Cc1ccccc1)c2ccc(cc2)N=N\C3=N\[NH+](C)CN3C.CN(Cc1ccccc1)c2ccc(cc2)N=N\C3=N\[NH+](C)CN3C


name: N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[ethyl(2-phenoxyethyl)amino]phenyl]acetamide
cas: 84012-50-0
formula: C24H25BrN6O6
inchikey: OBMMRQSZTMLKAS-UHFFFAOYSA-N
norman_susdat_id: NS00059422
pubchem_cid: 3019579
smiles: O=C(NC1=CC(=CC=C1N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CC)CCOC=3C=CC=CC3)C
inchi:
InChI=1/C24H23BrN6O6/c1-3-29(11-12-37-19-7-5-4-6-8-19)17-9-10-21(22(14-17)26-16(2)32)27-28-24-20(25)13-18(30(33)34)15-23(24)31(35)36/h4-10,13-15H,3,11-12H2,1-2H3,(H,26,32)


name: 2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate
cas: 84012-51-1
dtxsid: DTXSID801004289
formula: C25H30N3
inchikey: BKLVTRULGQWEOL-UHFFFAOYSA-M
norman_susdat_id: NS00061046
pubchem_cid: NA
smiles: N#CCCN(C1=CC=C(C=CC2=[N+](C=3C=CC=CC3C2(C)C)C)C(=C1)C)CC.O=C([O-])C
inchi:
InChI=1/C25H30N3.C2H4O2/c1-6-28(17-9-16-26)21-14-12-20(19(2)18-21)13-15-24-25(3,4)22-10-7-8-11-23(22)27(24)5;1-2(3)4/h7-8,10-15,18H,6,9,17H2,1-5H3;1H3,(H,3,4)/q+1;/p-1


name: Bis[5-[[4-[benzylmethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium] tetrachlorozincate(2-)
cas: 84012-52-2
formula: C18H21N6.1/2Cl4Zn
inchikey: GSBNFYQSNMZSHL-UHFFFAOYSA-L
norman_susdat_id: NS00090561
inchi:
InChI=1/2C18H22N6.4ClH.Zn/c2*1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;;;;;/h2*4-12,14,18H,13H2,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C18H22N6.Cl4Zn/c2*1-22(13-15-7-5-4-6-8-15)17-11-9-16(10-12-17)20-21-18-23(2)14-19-24(18)3;1-5(2,3)4/h2*4-12,14,18H,13H2,1-3H3;/q;;-2/p+2

smiles:
CN3/C=N\[NH+](C)C3N=Nc1ccc(cc1)N(C)Cc2ccccc2.Cl[Zn-2](Cl)(Cl)Cl.CN(Cc1ccccc1)c2ccc(cc2)N=NC3[NH+](C)\N=C/N3C


name: 2-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-1,2-benzisothiazol-3(2H)-one
cas: 84012-53-3
dtxsid: DTXSID801004291
formula: C16H22N2O2S
inchikey: BSADNVUPCPLKGY-UHFFFAOYSA-N
norman_susdat_id: NS00061047
pubchem_cid: 16205434
smiles: O=C1C=2C=CC=CC2SN1CN(CCO)C3CCCCC3
inchi:
InChI=1/C16H22N2O2S/c19-11-10-17(13-6-2-1-3-7-13)12-18-16(20)14-8-4-5-9-15(14)21-18/h4-5,8-9,13,19H,1-3,6-7,10-12H2


name: N-nitroso-N-[(tributylstannyl)oxy]cyclohexylamine
cas: 84012-65-7
formula: C18H38N2O2Sn
inchikey: RPRGWCUJWYPAQR-UHFFFAOYSA-N
norman_susdat_id: NS00059812
pubchem_cid: 44151936
smiles: O=NN(O[Sn](CCCC)(CCCC)CCCC)C1CCCCC1
inchi:
InChI=1/C6H11N2O2.3C4H9.Sn/c9-7-8(10)6-4-2-1-3-5-6;3*1-3-4-2;/h6H,1-5H2;3*1,3-4H2,2H3;/q-1;;;;+1/rC18H38N2O2Sn/c1-4-7-15-23(16-8-5-2,17-9-6-3)22-20(19-21)18-13-11-10-12-14-18/h18H,4-17H2,1-3H3


name: Butyl (Z,Z)-6,6-didodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dienoate
cas: 84012-66-8
formula: C40H72O8Sn
inchikey: OWBJOBPQBKLHSD-CTQQQIPUSA-L
norman_susdat_id: NS00060444
pubchem_cid: 44150559
smiles: O=C(OCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/2C12H25.2C8H12O4.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-2-3-6-12-8(11)5-4-7(9)10;/h2*1,3-12H2,2H3;2*4-5H,2-3,6H2,1H3,(H,9,10);/q;;;;+2/p-2/rC40H72O8Sn/c1-5-9-13-15-17-19-21-23-25-27-35-49(36-28-26-24-22-20-18-16-14-10-6-2,47-39(43)31-29-37(41)45-33-11-7-3)48-40(44)32-30-38(42)46-34-12-8-4/h29-32H,5-28,33-36H2,1-4H3


name: 2-hydroxy-3-(phosphonooxy)propyl laurate
cas: 84015-55-4
dtxsid: DTXSID401004299
formula: C15H31O7P
inchikey: STTKJLVEXMKLNA-UHFFFAOYSA-N
norman_susdat_id: NS00060350
pubchem_cid: 134394
smiles: O=C(OCC(O)COP(=O)(O)O)CCCCCCCCCCC
inchi:
InChI=1/C15H31O7P/c1-2-3-4-5-6-7-8-9-10-11-15(17)21-12-14(16)13-22-23(18,19)20/h14,16H,2-13H2,1H3,(H2,18,19,20)


name: 5-benzoyl-7-bromo-2,3-dihydro-1H-Pyrrolizine-1-carboxylic acid
cas: 84023-60-9
chemspiderid: 14996905
formula: C15H12Br1N1O3
inchikey: QUGMOATWHYRJFE-UHFFFAOYSA-N
norman_susdat_id: NS00008589
pubchem_cid: 15580630
smiles: OC(=O)C1CCn2c(cc(Br)c12)C(=O)c1ccccc1
inchi:
InChI=1S/C15H12BrNO3/c16-11-8-12(14(18)9-4-2-1-3-5-9)17-7-6-10(13(11)17)15(19)20/h1-5,8,10H,6-7H2,(H,19,20)


name: o-[[(tributylstannyl)oxy]carbonyl]phenyl acetate
cas: 84029-40-3
dtxsid: DTXSID60232906
formula: C21H34O4Sn
inchikey: ZUWWEGWEUMHGLQ-UHFFFAOYSA-M
norman_susdat_id: NS00060445
pubchem_cid: NA
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)C=1C=CC=CC1OC(=O)C
inchi:
InChI=1/C9H8O4.3C4H9.Sn/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;3*1-3-4-2;/h2-5H,1H3,(H,11,12);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC21H34O4Sn/c1-5-8-15-26(16-9-6-2,17-10-7-3)25-21(23)19-13-11-12-14-20(19)24-18(4)22/h11-14H,5-10,15-17H2,1-4H3


name: Sodium 7-acetamidonaphthalene-1-sulphonate
cas: 84029-48-1
dtxsid: DTXSID80232908
formula: C12H11NO4S
inchikey: WFBFTGQODPJLSG-UHFFFAOYSA-M
norman_susdat_id: NS00061503
pubchem_cid: 3019591
smiles: [Na+].O=C(NC1=CC=C2C=CC=C(C2=C1)S(=O)(=O)[O-])C
inchi:
InChI=1/C12H11NO4S.Na/c1-8(14)13-10-6-5-9-3-2-4-12(11(9)7-10)18(15,16)17;/h2-7H,1H3,(H,13,14)(H,15,16,17);/q;+1/p-1


name: Sodium N-(3-aminobenzoyl)sulphanilate
cas: 84029-49-2
dtxsid: DTXSID601004302
formula: C13H12N2O4S
inchikey: UTCOEJNQMPBYKD-UHFFFAOYSA-M
norman_susdat_id: NS00060446
pubchem_cid: 44151754
smiles: [Na+].O=C(NC1=CC=C(C=C1)S(=O)(=O)[O-])C=2C=CC=C(N)C2
inchi:
InChI=1/C13H12N2O4S.Na/c14-10-3-1-2-9(8-10)13(16)15-11-4-6-12(7-5-11)20(17,18)19;/h1-8H,14H2,(H,15,16)(H,17,18,19);/q;+1/p-1


name: ((2-(Aminocarbonyl)-5-ethoxyphenyl)thio)acetic acid
cas: 84029-50-5
chemspiderid: 2029133
dtxsid: DTXSID40232909
formula: C11H13N1O4S1
inchikey: XETNLDWLMNXRIA-UHFFFAOYSA-N
norman_susdat_id: NS00016151
pubchem_cid: 2747685
smiles: CCOC1=CC(=C(C=C1)C(=O)N)SCC(=O)O
inchi:
InChI=1S/C11H13NO4S/c1-2-16-7-3-4-8(11(12)15)9(5-7)17-6-10(13)14/h3-5H,2,6H2,1H3,(H2,12,15)(H,13,14)


name: Tetratriacontafluoro-10,13,16,19-tetraoxaoctacosadiene
cas: 84029-54-9
chemspiderid: 21163912
dtxsid: DTXSID10880991
formula: C24H12F34O4
inchikey: HFBWKQAPVODCQP-VQHVLOKHSA-N
norman_susdat_id: NS00011013
pubchem_cid: 44152587
inchi:
InChI=1S/C24H12F34O4/c1-2-3-4-5-6(25)11(31,32)14(37,38)17(43,44)59-19(47,48)21(51,52)61-23(55,56)24(57,58)62-22(53,54)20(49,50)60-18(45,46)16(41,42)15(39,40)13(35,36)12(33,34)9(28)7(26)8(27)10(29)30/h6H,2-5H2,1H3/b9-7+

smiles:
CCCCCC(C(C(C(OC(C(OC(C(OC(C(OC(C(C(C(C(/C(=C(/C(=C(F)F)F)F)/F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F


name: Dodecyl (Z,Z)-6,6-didodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dienoate
cas: 84029-72-1
formula: C56H104O8Sn
inchikey: DETMVBCKVFEAAM-NUJFUEHTSA-L
norman_susdat_id: NS00060398
pubchem_cid: 44153345
smiles: O=C(OCCCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/2C16H28O4.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*12-13H,2-11,14H2,1H3,(H,17,18);2*1,3-12H2,2H3;/q;;;;+2/p-2/rC56H104O8Sn/c1-5-9-13-17-21-25-29-33-37-41-49-61-53(57)45-47-55(59)63-65(51-43-39-35-31-27-23-19-15-11-7-3,52-44-40-36-32-28-24-20-16-12-8-4)64-56(60)48-46-54(58)62-50-42-38-34-30-26-22-18-14-10-6-2/h45-48H,5-44,49-52H2,1-4H3


cas: 84029-73-2
formula: C62H110O12Sn
inchikey: AYYTVQVILHVSJM-POUCYOBESA-K
norman_susdat_id: NS00059835
pubchem_cid: 53438089
name:
Tetradecyl (Z,Z,Z)-6-[[1,4-dioxo-4-(tetradecyloxy)but-2-enyl]oxy]-6-octyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate

inchi:
InChI=1/3C18H32O4.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;1-3-5-7-8-6-4-2;/h3*14-15H,2-13,16H2,1H3,(H,19,20);1,3-8H2,2H3;/q;;;;+3/p-3/rC62H110O12Sn/c1-5-9-13-17-21-24-27-30-33-36-39-43-53-69-57(63)47-50-60(66)72-75(56-46-42-20-16-12-8-4,73-61(67)51-48-58(64)70-54-44-40-37-34-31-28-25-22-18-14-10-6-2)74-62(68)52-49-59(65)71-55-45-41-38-35-32-29-26-23-19-15-11-7-3/h47-52H,5-46,53-56H2,1-4H3

smiles:
O=C(OCCCCCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)CCCCCCCC


cas: 84029-74-3
formula: C66H118O12Sn
inchikey: HULSPORJGSUDMC-POUCYOBESA-K
norman_susdat_id: NS00061530
pubchem_cid: 53438088
name:
Tetradecyl (Z,Z,Z)-6-[[1,4-dioxo-4-(tetradecyloxy)but-2-enyl]oxy]-6-dodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate

inchi:
InChI=1/3C18H32O4.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;1-3-5-7-9-11-12-10-8-6-4-2;/h3*14-15H,2-13,16H2,1H3,(H,19,20);1,3-12H2,2H3;/q;;;;+3/p-3/rC66H118O12Sn/c1-5-9-13-17-21-25-29-32-35-39-43-47-57-73-61(67)51-54-64(70)76-79(60-50-46-42-38-28-24-20-16-12-8-4,77-65(71)55-52-62(68)74-58-48-44-40-36-33-30-26-22-18-14-10-6-2)78-66(72)56-53-63(69)75-59-49-45-41-37-34-31-27-23-19-15-11-7-3/h51-56H,5-50,57-60H2,1-4H3

smiles:
O=C(OCCCCCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)CCCCCCCCCCCC


cas: 84029-75-4
formula: C58H102O12Sn
inchikey: SIGMQEZAKTZEPF-POUCYOBESA-K
norman_susdat_id: NS00060473
pubchem_cid: 53438090
smiles: O=C(OCCCCCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)CCCC
name:
Tetradecyl (Z,Z,Z)-6-butyl-6-[[1,4-dioxo-4-(tetradecyloxy)but-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate

inchi:
InChI=1/3C18H32O4.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;1-3-4-2;/h3*14-15H,2-13,16H2,1H3,(H,19,20);1,3-4H2,2H3;/q;;;;+3/p-3/rC58H102O12Sn/c1-5-9-13-16-19-22-25-28-31-34-37-40-49-65-53(59)43-46-56(62)68-71(52-12-8-4,69-57(63)47-44-54(60)66-50-41-38-35-32-29-26-23-20-17-14-10-6-2)70-58(64)48-45-55(61)67-51-42-39-36-33-30-27-24-21-18-15-11-7-3/h43-48H,5-42,49-52H2,1-4H3


name: Tetradecyl (Z,Z)-6,6-didodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate
cas: 84029-76-5
formula: C60H112O8Sn
inchikey: LYJOPYRQEYEMMH-POUCYOBESA-L
norman_susdat_id: NS00059860
pubchem_cid: 44154054
smiles: O=C(OCCCCCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/2C18H32O4.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*14-15H,2-13,16H2,1H3,(H,19,20);2*1,3-12H2,2H3;/q;;;;+2/p-2/rC60H112O8Sn/c1-5-9-13-17-21-25-29-31-33-37-41-45-53-65-57(61)49-51-59(63)67-69(55-47-43-39-35-27-23-19-15-11-7-3,56-48-44-40-36-28-24-20-16-12-8-4)68-60(64)52-50-58(62)66-54-46-42-38-34-32-30-26-22-18-14-10-6-2/h49-52H,5-48,53-56H2,1-4H3


name: Tetradecyl (Z,Z)-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate
cas: 84029-77-6
formula: C52H96O8Sn
inchikey: HXPRCVLFFFMBNP-POUCYOBESA-L
norman_susdat_id: NS00060474
pubchem_cid: 53438087
smiles: O=C(OCCCCCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C18H32O4.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;2*1-3-5-7-8-6-4-2;/h2*14-15H,2-13,16H2,1H3,(H,19,20);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC52H96O8Sn/c1-5-9-13-17-21-23-25-27-29-31-33-37-45-57-49(53)41-43-51(55)59-61(47-39-35-19-15-11-7-3,48-40-36-20-16-12-8-4)60-52(56)44-42-50(54)58-46-38-34-32-30-28-26-24-22-18-14-10-6-2/h41-44H,5-40,45-48H2,1-4H3


cas: 84029-78-7
formula: C30H46O12Sn
inchikey: CDRAXUFZXHOXOA-GLPMUSQESA-K
norman_susdat_id: NS00059861
pubchem_cid: 53428601
smiles: O=C(OCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCC)(OC(=O)C=CC(=O)OCC)CCCCCCCCCCCC
name:
Ethyl (Z,Z,Z)-9-dodecyl-9-[(4-ethoxy-1,4-dioxobut-2-enyl)oxy]-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate

inchi:
InChI=1/C12H25.3C6H8O4.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3*1-2-10-6(9)4-3-5(7)8;/h1,3-12H2,2H3;3*3-4H,2H2,1H3,(H,7,8);/q;;;;+3/p-3/rC30H46O12Sn/c1-5-9-10-11-12-13-14-15-16-17-24-43(40-28(34)21-18-25(31)37-6-2,41-29(35)22-19-26(32)38-7-3)42-30(36)23-20-27(33)39-8-4/h18-23H,5-17,24H2,1-4H3


name: Ethyl (Z,Z)-9,9-didodecyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate
cas: 84029-79-8
formula: C36H64O8Sn
inchikey: JXBYJBIZKJAFKV-DERJAXIWSA-L
norman_susdat_id: NS00059862
pubchem_cid: 44147395
smiles: O=C(OCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/2C12H25.2C6H8O4.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-2-10-6(9)4-3-5(7)8;/h2*1,3-12H2,2H3;2*3-4H,2H2,1H3,(H,7,8);/q;;;;+2/p-2/rC36H64O8Sn/c1-5-9-11-13-15-17-19-21-23-25-31-45(43-35(39)29-27-33(37)41-7-3,44-36(40)30-28-34(38)42-8-4)32-26-24-22-20-18-16-14-12-10-6-2/h27-30H,5-26,31-32H2,1-4H3


cas: 84029-80-1
formula: C22H30O12Sn
inchikey: RVSLCHMIGMLDMI-VGKOASNMSA-K
norman_susdat_id: NS00061531
pubchem_cid: 53428600
smiles: O=C(OCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCC)(OC(=O)C=CC(=O)OCC)CCCC
name:
Ethyl (Z,Z,Z)-9-butyl-9-[(4-ethoxy-1,4-dioxobut-2-enyl)oxy]-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate

inchi:
InChI=1/3C6H8O4.C4H9.Sn/c3*1-2-10-6(9)4-3-5(7)8;1-3-4-2;/h3*3-4H,2H2,1H3,(H,7,8);1,3-4H2,2H3;/q;;;;+3/p-3/rC22H30O12Sn/c1-5-9-16-35(32-20(26)13-10-17(23)29-6-2,33-21(27)14-11-18(24)30-7-3)34-22(28)15-12-19(25)31-8-4/h10-15H,5-9,16H2,1-4H3


cas: 84029-81-2
formula: C36H57O12Sn
inchikey: IUZYRKDFCMHTTL-OZITUSCZSA-L
norman_susdat_id: NS00061532
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)C=CC(=O)OCCCC)C(CCCCCOC(=O)C=CC(=O)OCCCC)CCCCCC)C=CC(=O)OCCCC
name:
Butyl (Z,Z,Z)-6-[(4-butoxy-1,4-dioxobut-2-enyl)oxy]dodec-6-yl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexadeca-2,9-dienoate

inchi:
InChI=1/C20H35O4.2C8H12O4.Sn/c1-3-5-7-8-9-10-11-12-13-14-18-24-20(22)16-15-19(21)23-17-6-4-2;2*1-2-3-6-12-8(11)5-4-7(9)10;/h10,15-16H,3-9,11-14,17-18H2,1-2H3;2*4-5H,2-3,6H2,1H3,(H,9,10);/q;;;+3/p-2/rC36H57O12Sn/c1-5-9-13-15-18-30(19-16-14-17-29-46-32(38)21-20-31(37)43-26-10-6-2)49(47-35(41)24-22-33(39)44-27-11-7-3)48-36(42)25-23-34(40)45-28-12-8-4/h20-25,30H,5-19,26-29H2,1-4H3/q+1


name: 4-[(2,5-dichlorophenyl)azo]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
cas: 84029-83-4
formula: C23H15Cl2N4O4
inchikey: CICZEPSFMHEEHC-UHFFFAOYSA-N
norman_susdat_id: NS00060399
pubchem_cid: 3019600
smiles: O=C(NC1=CC=CC(=C1)[N+](=O)[O-])C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=CC=C4Cl)=C2O
inchi:
InChI=1/C23H14Cl2N4O4/c24-14-8-9-19(25)20(11-14)27-28-21-17-7-2-1-4-13(17)10-18(22(21)30)23(31)26-15-5-3-6-16(12-15)29(32)33/h1-12,30H,(H,26,31)


name: Benzene-1,2,4-tricarboxylic acid, compound with 4,5-dihydro-4-methyl-2-phenyl-1H-imidazole (1:2)
cas: 84029-84-5
formula: C10H12N2.1/2C9H6O6
inchikey: NHWKWOPVWPKZMC-UHFFFAOYSA-N
norman_susdat_id: NS00090318
smiles: CC1CNC(=N1)c2ccccc2.CC3CNC(=N3)c4ccccc4.OC(=O)c5ccc(C(=O)O)c(c5)C(=O)O
inchi:
InChI=1/2C10H12N2.C9H6O6/c2*1-8-7-11-10(12-8)9-5-3-2-4-6-9;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h2*2-6,8H,7H2,1H3,(H,11,12);1-3H,(H,10,11)(H,12,13)(H,14,15)


cas: 84030-03-5
dtxsid: DTXSID80232923
formula: C25H26N3O3
inchikey: VIMBCPUQCVRMQJ-UHFFFAOYSA-N
norman_susdat_id: NS00059866
pubchem_cid: 3019612
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(N)C13)NC4=CC=C(OCC[N+](C)(C)C)C=C4.O=S(=O)([O-])OC
name:
[2-[4-[(4-amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino]phenoxy]ethyl]trimethylammonium methyl sulphate

inchi:
InChI=1/C25H25N3O3.CH4O4S/c1-28(2,3)14-15-31-17-10-8-16(9-11-17)27-21-13-12-20(26)22-23(21)25(30)19-7-5-4-6-18(19)24(22)29;1-5-6(2,3)4/h4-13H,14-15H2,1-3H3,(H2-,26,27,29,30);1H3,(H,2,3,4)


cas: 84030-06-8
formula: C18H16N4O12S3
inchikey: TXOUIJIHIWFYOF-UHFFFAOYSA-L
norman_susdat_id: NS00060495
pubchem_cid: 44154197
name:
Disodium hydrogen 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-1-(3-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C18H16N4O12S3.2Na.H2/c23-17-15(16(18(24)25)21-22(17)12-2-1-3-14(10-12)36(28,29)30)20-19-11-4-6-13(7-5-11)35(26,27)9-8-34-37(31,32)33;;;/h1-7,10,15H,8-9H2,(H,24,25)(H,28,29,30)(H,31,32,33);;;1H/q;3*+1/p-3

smiles:
[H+].[Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)[O-])C3=CC=CC(=C3)S(=O)(=O)[O-]


name: Cyclohexyldidodecylphosphine
cas: 84030-08-0
dtxsid: DTXSID00232925
formula: C30H61P
inchikey: LTOGYKDPAPFFOG-UHFFFAOYSA-N
norman_susdat_id: NS00060404
pubchem_cid: 3019615
smiles: P(CCCCCCCCCCCC)(CCCCCCCCCCCC)C1CCCCC1
inchi:
InChI=1/C30H61P/c1-3-5-7-9-11-13-15-17-19-24-28-31(30-26-22-21-23-27-30)29-25-20-18-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3


name: Cyclohexyldioctadecylphosphine
cas: 84030-09-1
dtxsid: DTXSID60232926
formula: C42H85P
inchikey: DFFVSDBMOHTCCY-UHFFFAOYSA-N
norman_susdat_id: NS00060405
pubchem_cid: 3019616
smiles: P(CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)C1CCCCC1
inchi:
InChI=1/C42H85P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-40-43(42-38-34-33-35-39-42)41-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-41H2,1-2H3


name: Dicyclohexyloctadecylphosphine
cas: 84030-10-4
dtxsid: DTXSID901004313
formula: C30H59P
inchikey: QOCLTRNYWOOIBE-UHFFFAOYSA-N
norman_susdat_id: NS00059868
pubchem_cid: 21149595
smiles: P(CCCCCCCCCCCCCCCCCC)(C1CCCCC1)C2CCCCC2
inchi:
InChI=1/C30H59P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28-31(29-24-19-17-20-25-29)30-26-21-18-22-27-30/h29-30H,2-28H2,1H3


name: 5-Ethyldihydro-2-thioxo-5-(p-tolyl)pyrimidine-4,6(1H,5H)-dione
cas: 84030-12-6
chemspiderid: 2006309
dtxsid: DTXSID20232927
formula: C13H14N2O2S1
inchikey: FOKRXEOEPBXDII-UHFFFAOYSA-N
norman_susdat_id: NS00038390
pubchem_cid: 2724150
smiles: CCC1(C(=O)NC(=S)NC1=O)c1ccc(C)cc1
inchi:
InChI=1S/C13H14N2O2S/c1-3-13(9-6-4-8(2)5-7-9)10(16)14-12(18)15-11(13)17/h4-7H,3H2,1-2H3,(H2,14,15,16,17,18)


name: N-(4-Dodecylphenyl)-3-oxobutyramide
cas: 84030-15-9
chemspiderid: 2286756
dtxsid: DTXSID40232929
formula: C22H35N1O2
inchikey: NRRVZLFVFLROGI-UHFFFAOYSA-N
norman_susdat_id: NS00038392
pubchem_cid: 3019619
smiles: CCCCCCCCCCCCc1ccc(NC(=O)CC(=O)C)cc1
inchi:
InChI=1S/C22H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-20-14-16-21(17-15-20)23-22(25)18-19(2)24/h14-17H,3-13,18H2,1-2H3,(H,23,25)


name: Trisodium 7-hydroxy-8-[(4-sulphonatophenyl)azo]naphthalene-1,3-disulphonate
cas: 84030-17-1
formula: C16H12N2O10S3
inchikey: ZNXMGWRYOUZDLV-UHFFFAOYSA-K
norman_susdat_id: NS00059942
pubchem_cid: 17566
smiles: [Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C(O)=CC=C3C=C(C=C(C32)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1
inchi:
InChI=1/C16H12N2O10S3.3Na/c19-13-6-1-9-7-12(30(23,24)25)8-14(31(26,27)28)15(9)16(13)18-17-10-2-4-11(5-3-10)29(20,21)22;;;/h1-8,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3


name: 1-benzyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-histidine
cas: 84030-19-3
formula: C28H25N3O4
inchikey: AZBCBZPTQNYCPF-SANMLTNESA-N
norman_susdat_id: NS00061586
pubchem_cid: 14427835
smiles: O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CC=4N=CN(C4)CC=5C=CC=CC5
inchi:
InChI=1/C28H25N3O4/c32-27(33)26(14-20-16-31(18-29-20)15-19-8-2-1-3-9-19)30-28(34)35-17-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h1-13,16,18,25-26H,14-15,17H2,(H,30,34)(H,32,33)


name: N-[N-[(phenylmethoxy)carbonyl]-L-isoleucyl]-L-methionine
cas: 84030-22-8
dtxsid: DTXSID601004314
formula: C19H28N2O5S
inchikey: GTXSTEDIVHHJQL-FMYDAXTQSA-N
norman_susdat_id: NS00059943
pubchem_cid: 100085
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NC(C(=O)O)CCSC)C(C)CC
inchi:
InChI=1/C19H28N2O5S/c1-4-13(2)16(17(22)20-15(18(23)24)10-11-27-3)21-19(25)26-12-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)


name: Benzyl N-[N-[N-[(benzyloxy)carbonyl]-L-leucyl]glycyl]-L-leucinate
cas: 84030-23-9
dtxsid: DTXSID301004315
formula: C29H39N3O6
inchikey: KECPXLPOXOPMJF-DQEYMECFSA-N
norman_susdat_id: NS00060454
pubchem_cid: 44153246
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NCC(=O)NC(C(=O)OCC=2C=CC=CC2)CC(C)C)CC(C)C
inchi:
InChI=1/C29H39N3O6/c1-20(2)15-24(32-29(36)38-19-23-13-9-6-10-14-23)27(34)30-17-26(33)31-25(16-21(3)4)28(35)37-18-22-11-7-5-8-12-22/h5-14,20-21,24-25H,15-19H2,1-4H3,(H,30,34)(H,31,33)(H,32,36)


name: Potassium octadecyl phosphonate
cas: 84030-29-5
formula: C18H39O3P.K
inchikey: TVQDNOCFIAWFJM-UHFFFAOYSA-M
norman_susdat_id: NS00090303
smiles: [K+].CCCCCCCCCCCCCCCCCCOP(=O)[O-]
inchi:
InChI=1/C18H39O3P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19)20;/h22H,2-18H2,1H3,(H,19,20);/q;+1/p-1


name: N,N-bis[2-(dodecylamino)ethyl]-glycine monohydrochloride
cas: 84030-30-8
dtxsid: DTXSID30232933
formula: C30H63N3O2
inchikey: MVXJAPNCCGPZHJ-UHFFFAOYSA-N
norman_susdat_id: NS00060556
pubchem_cid: 3019622
smiles: Cl.O=C(O)CN(CCNCCCCCCCCCCCC)CCNCCCCCCCCCCCC
inchi:
InChI=1/C30H63N3O2.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-27-33(29-30(34)35)28-26-32-24-22-20-18-16-14-12-10-8-6-4-2;/h31-32H,3-29H2,1-2H3,(H,34,35);1H


name: N,N-Dioctyl-N'-(2-(octylamino)ethyl)ethylenediamine
cas: 84030-31-9
chemspiderid: 2286760
dtxsid: DTXSID90232934
formula: C28H61N3
inchikey: LXHBTTSMDMBMEG-UHFFFAOYSA-N
norman_susdat_id: NS00038395
pubchem_cid: 3019623
smiles: CCCCCCCCNCCNCCN(CCCCCCCC)CCCCCCCC
inchi:
InChI=1S/C28H61N3/c1-4-7-10-13-16-19-22-29-23-24-30-25-28-31(26-20-17-14-11-8-5-2)27-21-18-15-12-9-6-3/h29-30H,4-28H2,1-3H3


name: Potassium [2-[2-(4-nonylphenoxy)ethoxy]ethyl] phosphonate
cas: 84030-32-0
formula: C19H33O5P
inchikey: BWTHPUXKHQFQDX-UHFFFAOYSA-M
norman_susdat_id: NS00059944
pubchem_cid: NA
smiles: [K+].O=P([O-])OCCOCCOC1=CC=C(C=C1)CCCCCCCCC
inchi:
InChI=1/C19H33O5P.K/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)23-16-14-22-15-17-24-25(20)21;/h10-13,25H,2-9,14-17H2,1H3,(H,20,21);/q;+1/p-1


name: 4-[[2-[(4-chloro-2-nitrophenyl)azo]-1,3-dioxobutyl]amino]benzenesulphonic acid
cas: 84030-34-2
formula: C16H14ClN4O7S
inchikey: WFQXPEDWIWMDBN-UHFFFAOYSA-N
norman_susdat_id: NS00060455
pubchem_cid: 3019624
smiles: O=C(NC1=CC=C(C=C1)S(=O)(=O)O)C(N=NC2=CC=C(Cl)C=C2[N+](=O)[O-])C(=O)C
inchi:
InChI=1/C16H13ClN4O7S/c1-9(22)15(20-19-13-7-2-10(17)8-14(13)21(24)25)16(23)18-11-3-5-12(6-4-11)29(26,27)28/h2-8,15H,1H3,(H,18,23)(H,26,27,28)


name: 4-[(4,8-disulpho-2-naphthyl)azo]-3-hydroxy-2-naphthoic acid
cas: 84030-35-3
formula: C21H14N2O9S2
inchikey: KUNMPIQTHNYNBK-UHFFFAOYSA-N
norman_susdat_id: NS00060557
pubchem_cid: 3019625
smiles: O=C(O)C1=CC=2C=CC=CC2C(N=NC=3C=C4C(C=CC=C4S(=O)(=O)O)=C(C3)S(=O)(=O)O)=C1O
inchi:
InChI=1/C21H14N2O9S2/c24-20-16(21(25)26)8-11-4-1-2-5-13(11)19(20)23-22-12-9-15-14(18(10-12)34(30,31)32)6-3-7-17(15)33(27,28)29/h1-10,24H,(H,25,26)(H,27,28,29)(H,30,31,32)


cas: 84030-36-4
formula: C20H16N4O10S3
inchikey: FXOBXXVFZKDNDD-UHFFFAOYSA-N
norman_susdat_id: NS00090739
smiles: OS(=O)(=O)c4cccc1c4cc(cc1S(O)(=O)=O)N=NC3C(\C)=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O
name:
3-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]naphthalene-1,5-disulphonic acid

inchi:
InChI=1/C20H16N4O10S3/c1-11-19(20(25)24(23-11)13-5-7-14(8-6-13)35(26,27)28)22-21-12-9-16-15(18(10-12)37(32,33)34)3-2-4-17(16)36(29,30)31/h2-10,19H,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)


name: Manganese 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate
cas: 84030-40-0
formula: C18H14N2O6S.xMn
inchikey: XCYPCSGHEFHFSK-RZLHGTIFSA-N
norman_susdat_id: NS00090066
smiles: [Mn].OS(=O)(=O)c3cc(C)ccc3/N=N/c1c2ccccc2cc(C(O)=O)c1O
inchi:
InChI=1/C18H14N2O6S.Mn/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);/q;+2


name: Dodecyl 4-dodecyl-4-[[2-(dodecyloxy)-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-stannaicosanoate
cas: 84030-41-1
formula: C54H106O6S3Sn
inchikey: WIXUEKAUCXJWIL-UHFFFAOYSA-K
norman_susdat_id: NS00059945
pubchem_cid: 44152649
smiles: O=C(OCCCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/3C14H28O2S.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;1-3-5-7-9-11-12-10-8-6-4-2;/h3*17H,2-13H2,1H3;1,3-12H2,2H3;/q;;;;+3/p-3/rC54H106O6S3Sn/c1-5-9-13-17-21-25-29-33-37-41-45-58-52(55)49-61-64(48-44-40-36-32-28-24-20-16-12-8-4,62-50-53(56)59-46-42-38-34-30-26-22-18-14-10-6-2)63-51-54(57)60-47-43-39-35-31-27-23-19-15-11-7-3/h5-51H2,1-4H3


name: Decyl 4,4-didodecyl-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecanoate
cas: 84030-42-2
formula: C48H96O4S2Sn
inchikey: DSZRMMSYVNJDKA-UHFFFAOYSA-L
norman_susdat_id: NS00060456
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/2C12H24O2S.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-14-12(13)11-15;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*15H,2-11H2,1H3;2*1,3-12H2,2H3;/q;;;;+2/p-2/rC48H96O4S2Sn/c1-5-9-13-17-21-25-27-31-35-39-43-55(44-40-36-32-28-26-22-18-14-10-6-2,53-45-47(49)51-41-37-33-29-23-19-15-11-7-3)54-46-48(50)52-42-38-34-30-24-20-16-12-8-4/h5-46H2,1-4H3


name: Decyl 4-[[2-(decyloxy)-2-oxoethyl]thio]-4-dodecyl-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecanoate
cas: 84030-43-3
formula: C48H94O6S3Sn
inchikey: UMNKGEDHHPRECS-UHFFFAOYSA-K
norman_susdat_id: NS00060457
pubchem_cid: 44153332
smiles: O=C(OCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCC)(SCC(=O)OCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/3C12H24O2S.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-14-12(13)11-15;1-3-5-7-9-11-12-10-8-6-4-2;/h3*15H,2-11H2,1H3;1,3-12H2,2H3;/q;;;;+3/p-3/rC48H94O6S3Sn/c1-5-9-13-17-21-25-26-30-34-38-42-58(55-43-46(49)52-39-35-31-27-22-18-14-10-6-2,56-44-47(50)53-40-36-32-28-23-19-15-11-7-3)57-45-48(51)54-41-37-33-29-24-20-16-12-8-4/h5-45H2,1-4H3


name: Decyl 4-[[2-(decyloxy)-2-oxoethyl]thio]-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecanoate
cas: 84030-44-4
formula: C44H86O6S3Sn
inchikey: PSFINCGCUNIGHG-UHFFFAOYSA-K
norman_susdat_id: NS00060458
pubchem_cid: 44148221
smiles: O=C(OCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCC)(SCC(=O)OCCCCCCCCCC)CCCCCCCC
inchi:
InChI=1/3C12H24O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-14-12(13)11-15;1-3-5-7-8-6-4-2;/h3*15H,2-11H2,1H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC44H86O6S3Sn/c1-5-9-13-17-21-24-27-31-35-48-42(45)39-51-54(38-34-30-20-16-12-8-4,52-40-43(46)49-36-32-28-25-22-18-14-10-6-2)53-41-44(47)50-37-33-29-26-23-19-15-11-7-3/h5-41H2,1-4H3


name: Decyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecanoate
cas: 84030-45-5
formula: C32H64O4S2Sn
inchikey: ZMHYXZXTHCGPAQ-UHFFFAOYSA-L
norman_susdat_id: NS00059946
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/2C12H24O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-14-12(13)11-15;2*1-3-4-2;/h2*15H,2-11H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC32H64O4S2Sn/c1-5-9-13-15-17-19-21-23-25-35-31(33)29-37-39(27-11-7-3,28-12-8-4)38-30-32(34)36-26-24-22-20-18-16-14-10-6-2/h5-30H2,1-4H3


name: Decyl 4-butyl-4-[[2-(decyloxy)-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecanoate
cas: 84030-46-6
formula: C40H78O6S3Sn
inchikey: AGYCYDHXDUHLQZ-UHFFFAOYSA-K
norman_susdat_id: NS00059947
pubchem_cid: 44148101
smiles: O=C(OCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCC)(SCC(=O)OCCCCCCCCCC)CCCC
inchi:
InChI=1/3C12H24O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-14-12(13)11-15;1-3-4-2;/h3*15H,2-11H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC40H78O6S3Sn/c1-5-9-13-16-19-22-25-28-31-44-38(41)35-47-50(34-12-8-4,48-36-39(42)45-32-29-26-23-20-17-14-10-6-2)49-37-40(43)46-33-30-27-24-21-18-15-11-7-3/h5-37H2,1-4H3


name: Decyl 4,4-dioctyl-7-oxo-8-oxa-3,5-dithia-4-stannaoctadecanoate
cas: 84030-47-7
formula: C40H80O4S2Sn
inchikey: ZHBWNZRZOGXNKV-UHFFFAOYSA-L
norman_susdat_id: NS00060558
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C12H24O2S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-14-12(13)11-15;2*1-3-5-7-8-6-4-2;/h2*15H,2-11H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC40H80O4S2Sn/c1-5-9-13-17-21-23-25-29-33-43-39(41)37-45-47(35-31-27-19-15-11-7-3,36-32-28-20-16-12-8-4)46-38-40(42)44-34-30-26-24-22-18-14-10-6-2/h5-38H2,1-4H3


name: Bis(2-acetoxyethyl)phenylammonium acetate
cas: 84030-49-9
formula: C14H19NO4.C2H4O2
inchikey: QXTMNTHBVVVMBG-UHFFFAOYSA-N
norman_susdat_id: NS00090740
smiles: CC(=O)[O-].CC(=O)OCC[NH+](CCOC(=O)C)c1ccccc1
inchi:
InChI=1/C14H19NO4.C2H4O2/c1-12(16)18-10-8-15(9-11-19-13(2)17)14-6-4-3-5-7-14;1-2(3)4/h3-7H,8-11H2,1-2H3;1H3,(H,3,4)


name: N-[3-[(2-cyanoethyl)ethylamino]-4-methoxyphenyl]acetamide monoacetate
cas: 84030-50-2
formula: C14H19N3O2.C2H4O2
inchikey: FVSAWYTZJIYXAZ-UHFFFAOYSA-N
norman_susdat_id: NS00090741
smiles: CCN(CCC#N)c1cc(NC(=O)C)ccc1OC.CC(=O)O
inchi:
InChI=1/C14H19N3O2.C2H4O2/c1-4-17(9-5-8-15)13-10-12(16-11(2)18)6-7-14(13)19-3;1-2(3)4/h6-7,10H,4-5,9H2,1-3H3,(H,16,18);1H3,(H,3,4)


name: (5-acetamido-2-methoxyphenyl)bis(2-acetoxyethyl)ammonium acetate
cas: 84030-51-3
formula: C17H24N2O6.C2H4O2
inchikey: UYNYBIGIXRLSBQ-UHFFFAOYSA-N
norman_susdat_id: NS00090750
smiles: COc1ccc(NC(=O)C)cc1[NH+](CCOC(=O)C)CCOC(=O)C.CC(=O)[O-]
inchi:
InChI=1/C17H24N2O6.C2H4O2/c1-12(20)18-15-5-6-17(23-4)16(11-15)19(7-9-24-13(2)21)8-10-25-14(3)22;1-2(3)4/h5-6,11H,7-10H2,1-4H3,(H,18,20);1H3,(H,3,4)


name: 7-(5-acetamido-2-methoxyphenyl)-10-(methoxycarbonyl)-3-oxo-2,4,10-trioxa-7-azadecane monoacetate
cas: 84030-52-4
formula: C17H24N2O8.C2H4O2
inchikey: VVMWKRASIUVWJT-UHFFFAOYSA-N
norman_susdat_id: NS00090067
smiles: COC(=O)OCCN(CCOC(=O)OC)c1cc(NC(=O)C)ccc1OC.CC(=O)O
inchi:
InChI=1/C17H24N2O8.C2H4O2/c1-12(20)18-13-5-6-15(23-2)14(11-13)19(7-9-26-16(21)24-3)8-10-27-17(22)25-4;1-2(3)4/h5-6,11H,7-10H2,1-4H3,(H,18,20);1H3,(H,3,4)


name: Decyl hydrogen sulphate, compound with 4,4'-carbonimidoylbis[N,N-dimethylaniline] (1:1)
cas: 84030-53-5
formula: C17H21N3.C12H26O4S
inchikey: IMQDQZYZNVIZOL-UHFFFAOYSA-N
norman_susdat_id: NS00090351
smiles: CCCCCCCCCCOS(=O)(=O)O.CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C
inchi:
InChI=1/C17H21N3.C10H22O4S/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h5-12,18H,1-4H3;2-10H2,1H3,(H,11,12,13)


name: DI(N-DODECYL)TIN S,S- DI(ISOOCTYLMERCAPTOACETATE)
cas: 84030-61-5
dtxsid: DTXSID50232935
formula: C44H88O4S2Sn
inchikey: YYUCEVXCMMVFLI-UHFFFAOYSA-L
norman_susdat_id: NS00113001
smiles: CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C
inchi:
InChI=1S/2C12H25.2C10H20O2S.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-9(2)6-4-3-5-7-12-10(11)8-13;/h2*1,3-12H2,2H3;2*9,13H,3-8H2,1-2H3;/q;;;;+2/p-2


name: metaclazepam
cas: 84031-17-4
chebiid: CHEBI:135621
chemspiderid: 64398
formula: C18H18Br1Cl1N2O1
inchikey: WABYCCJHARSRBH-UHFFFAOYSA-N
norman_susdat_id: NS00007823
pubchem_cid: 71272
smiles: COCC1CN=C(c2ccccc2Cl)c2cc(Br)ccc2N1C
inchi:
InChI=1S/C18H18BrClN2O/c1-22-13(11-23-2)10-21-18(14-5-3-4-6-16(14)20)15-9-12(19)7-8-17(15)22/h3-9,13H,10-11H2,1-2H3


name: Benzene-1,2,4-tricarboxylic acid, compound with 4,5-dihydro-4-methyl-2-phenyl-1H-imidazole (1:1)
cas: 84041-60-1
formula: C10H12N2.C9H6O6
inchikey: XSCWGSPTZHNCAH-UHFFFAOYSA-N
norman_susdat_id: NS00089775
smiles: CC1CNC(=N1)c2ccccc2.OC(=O)c3ccc(C(=O)O)c(c3)C(=O)O
inchi:
InChI=1/C10H12N2.C9H6O6/c1-8-7-11-10(12-8)9-5-3-2-4-6-9;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h2-6,8H,7H2,1H3,(H,11,12);1-3H,(H,10,11)(H,12,13)(H,14,15)


name: Benzene-1,3,5-tricarboxylic acid, compound with 4,5-dihydro-4-methyl-2-phenyl-1H-imidazole (1:1)
cas: 84041-61-2
formula: C10H12N2.C9H6O6
inchikey: OPQGDZPAXTVFPH-UHFFFAOYSA-N
norman_susdat_id: NS00089536
smiles: CC1CNC(=N1)c2ccccc2.OC(=O)c3cc(cc(c3)C(=O)O)C(=O)O
inchi:
InChI=1/C10H12N2.C9H6O6/c1-8-7-11-10(12-8)9-5-3-2-4-6-9;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h2-6,8H,7H2,1H3,(H,11,12);1-3H,(H,10,11)(H,12,13)(H,14,15)


cas: 84041-62-3
formula: C10H12N2.C10H6O8
inchikey: OLOHITWKWPLFGN-UHFFFAOYSA-N
norman_susdat_id: NS00089776
smiles: CC1CNC(=N1)c2ccccc2.OC(=O)c3cc(C(=O)O)c(cc3C(=O)O)C(=O)O
name:
Benzene-1,2,4,5-tetracarboxylic acid, compound with 4,5-dihydro-4-methyl-2-phenyl-1H-imidazole (1:1)

inchi:
InChI=1/C10H12N2.C10H6O8/c1-8-7-11-10(12-8)9-5-3-2-4-6-9;11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h2-6,8H,7H2,1H3,(H,11,12);1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)


cas: 84041-63-4
formula: C10H12N2.1/2C10H6O8
inchikey: TVUGXTMTWUPUGI-UHFFFAOYSA-N
norman_susdat_id: NS00089777
smiles: CC1CNC(=N1)c2ccccc2.CC3CNC(=N3)c4ccccc4.OC(=O)c5cc(C(=O)O)c(cc5C(=O)O)C(=O)O
name:
Benzene-1,2,4,5-tetracarboxylic acid, compound with 4,5-dihydro-4-methyl-2-phenyl-1H-imidazole (1:2)

inchi:
InChI=1/2C10H12N2.C10H6O8/c2*1-8-7-11-10(12-8)9-5-3-2-4-6-9;11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h2*2-6,8H,7H2,1H3,(H,11,12);1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)


name: Dialuminium tris[4-hydroxy-3-[(4-sulphonato-1-naphthyl)azo]naphthalenesulphonate]
cas: 84041-67-8
formula: C20H14N2O7S2.2/3Al
inchikey: ZXLAFEPTYHTFDH-UHFFFAOYSA-H
norman_susdat_id: NS00089755
inchi:
InChI=1/3C20H14N2O7S2.2Al/c3*23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16;;/h3*1-11,23H,(H,24,25,26)(H,27,28,29);;/q;;;2*+3/p-6

smiles:
[Al+3].[Al+3].[O-]S(=O)(=O)c4ccc(N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c3ccccc34.[O-]S(=O)(=O)c4ccc(N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c3ccccc34.[O-]S(=O)(=O)c4ccc(N=Nc2cc(c1ccccc1c2O)S([O-])(=O)=O)c3ccccc34


name: Manganese 4-[(4-chloro-5-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate
cas: 84041-69-0
formula: C18H13ClN2O6S.xMn
inchikey: YUFVFYARRDKOBR-ANVLNOONSA-N
norman_susdat_id: NS00089769
smiles: [Mn].Cc3cc(/N=N/c1c2ccccc2cc(C(O)=O)c1O)c(cc3Cl)S(O)(=O)=O
inchi:
InChI=1/C18H13ClN2O6S.Mn/c1-9-6-14(15(8-13(9)19)28(25,26)27)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2


name: 1-[2-[(2-chlorophenyl)amino]ethyl]-4-methylpyridinium chloride
cas: 84041-70-3
dtxsid: DTXSID401004332
formula: C14H16ClN2
inchikey: GWSNDQXBCPDGBF-UHFFFAOYSA-M
norman_susdat_id: NS00060363
pubchem_cid: 16205438
smiles: [Cl-].ClC=1C=CC=CC1NCC[N+]2=CC=C(C=C2)C
inchi:
InChI=1/C14H16ClN2.ClH/c1-12-6-9-17(10-7-12)11-8-16-14-5-3-2-4-13(14)15;/h2-7,9-10,16H,8,11H2,1H3;1H/q+1;/p-1


cas: 84041-72-5
formula: C25H30ClN5O3
inchikey: SAQVOAATGIPCMV-UHFFFAOYSA-M
norman_susdat_id: NS00059380
pubchem_cid: 20833789
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CCOC3=CC=C(C=C3)[N+](C)(C)C)C(Cl)=C1.O=S(=O)([O-])OC
name:
4-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethoxy]-N,N,N-trimethylanilinium methyl sulphate

inchi:
InChI=1/C25H29ClN5O3.CH4O4S/c1-5-29(16-17-34-23-13-11-22(12-14-23)31(2,3)4)20-8-6-19(7-9-20)27-28-25-15-10-21(30(32)33)18-24(25)26;1-5-6(2,3)4/h6-15,18H,5,16-17H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: 1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium hydrogen sulphate
cas: 84041-73-6
formula: C21H21ClN5O2.HO4S
inchikey: HWKSNRUECROBAR-UHFFFAOYSA-M
norman_susdat_id: NS00089778
smiles: [H+].[O-]S([O-])(=O)=O.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3
inchi:
InChI=1/C21H21ClN5O2.H2O4S.H2/c1-2-26(15-14-25-12-4-3-5-13-25)18-8-6-17(7-9-18)23-24-21-11-10-19(27(28)29)16-20(21)22;1-5(2,3)4;/h3-13,16H,2,14-15H2,1H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


cas: 84041-75-8
formula: C27H34Cl2N5O3S
inchikey: SLCTXUWHENDUNQ-UHFFFAOYSA-M
norman_susdat_id: NS00059395
pubchem_cid: 20833791
smiles: O=S(=O)([O-])OC.O=S(=O)(C=1C=C(Cl)C(N=NC2=CC=C(C=C2)N(CC)CCOC3=CC=C(C=C3)[N+](C)(C)C)=CC1Cl)N(C)C
name:
4-[2-[[4-[[2,5-dichloro-4-[(dimethylamino)sulphonyl]phenyl]azo]phenyl]ethylamino]ethoxy]-N,N,N-trimethylanilinium methyl sulphate

inchi:
InChI=1/C27H34Cl2N5O3S.CH4O4S/c1-7-33(16-17-37-23-14-12-22(13-15-23)34(4,5)6)21-10-8-20(9-11-21)30-31-26-18-25(29)27(19-24(26)28)38(35,36)32(2)3;1-5-6(2,3)4/h8-15,18-19H,7,16-17H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1


name: 1-ethyl-6-hydroxy-4-methyl-3-[(o-nitrophenyl)azo]-5-(piperidinomethyl)pyridin-2(1H)-one monoacetate
cas: 84041-76-9
formula: C20H26N5O4
inchikey: WZOSWFAPVRXOFY-UHFFFAOYSA-N
norman_susdat_id: NS00058914
pubchem_cid: 136229083
smiles: O=C(O)C.O=C1C(N=NC=2C=CC=CC2[N+](=O)[O-])=C(C(=C(O)N1CC)CN3CCCCC3)C
inchi:
InChI=1/C20H25N5O4.C2H4O2/c1-3-24-19(26)15(13-23-11-7-4-8-12-23)14(2)18(20(24)27)22-21-16-9-5-6-10-17(16)25(28)29;1-2(3)4/h5-6,9-10,26H,3-4,7-8,11-13H2,1-2H3;1H3,(H,3,4)


cas: 84041-78-1
formula: C35H24N6O21S4
inchikey: NXPZZIZRNNZOOS-UHFFFAOYSA-H
norman_susdat_id: NS00060389
pubchem_cid: NA
name:
Hexasodium 3,3'-[carbonylbis[imino(1-hydroxy-3-sulphonatonaphthalene-6,2-diyl)azo]]bis[6-hydroxy-5-sulphonatobenzoate]

inchi:
InChI=1/C35H24N6O21S4.6Na/c42-29-21(33(46)47)9-17(11-25(29)65(57,58)59)38-40-27-23(63(51,52)53)7-13-5-15(1-3-19(13)31(27)44)36-35(50)37-16-2-4-20-14(6-16)8-24(64(54,55)56)28(32(20)45)41-39-18-10-22(34(48)49)30(43)26(12-18)66(60,61)62;;;;;;/h1-12,42-45H,(H,46,47)(H,48,49)(H2,36,37,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC(=O)NC=4C=CC=5C(C4)=CC(=C(N=NC=6C=C(C(=O)[O-])C(O)=C(C6)S(=O)(=O)[O-])C5O)S(=O)(=O)[O-])=CC(=C1O)S(=O)(=O)[O-]


cas: 84045-63-6
formula: C24H23ClN8O11S3.3Na
inchikey: IPMILRMSRPPRDU-UHFFFAOYSA-K
norman_susdat_id: NS00089560
name:
Trisodium 5-[[5-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxopyridine-3-methanesulphonate

inchi:
InChI=1/C24H23ClN8O11S3.3Na/c1-3-33-20(34)16(11-45(36,37)38)12(2)19(21(33)35)32-31-17-10-14(7-8-18(17)47(42,43)44)27-24-29-22(25)28-23(30-24)26-13-5-4-6-15(9-13)46(39,40)41;;;/h4-10,35H,3,11H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,26,27,28,29,30);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C4C(/CS([O-])(=O)=O)=C(/C)\C(\N=Nc3cc(Nc2nc(Nc1cccc(c1)S([O-])(=O)=O)nc(Cl)n2)ccc3S([O-])(=O)=O)=C(\O)N4CC


cas: 84045-65-8
dtxsid: DTXSID80890406
formula: C31H24ClN7O10S3
inchikey: IZALFJAIUFACHU-UHFFFAOYSA-K
norman_susdat_id: NS00059459
pubchem_cid: NA
name:
Trisodium 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulphonato-2-naphthyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C31H24ClN7O10S3.3Na/c1-2-39(19-9-4-3-5-10-19)31-35-29(32)34-30(36-31)33-23-16-20(50(41,42)43)14-18-15-24(51(44,45)46)26(27(40)25(18)23)38-37-22-13-12-17-8-6-7-11-21(17)28(22)52(47,48)49;;;/h3-16,40H,2H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C=CC=4C=CC=CC4C3S(=O)(=O)[O-])C(O)=C2C(=C1)NC5=NC(Cl)=NC(=N5)N(C=6C=CC=CC6)CC)S(=O)(=O)[O-]


cas: 84045-66-9
formula: C28H22ClN7O10S2
inchikey: RMMUIUVBLRDWSE-UHFFFAOYSA-K
norman_susdat_id: NS00060448
pubchem_cid: NA
name:
Trisodium 4-[[6-[[4-chloro-6-[(4-methoxy-2-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]methylamino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]benzoate

inchi:
InChI=1/C28H22ClN7O10S2.3Na/c1-36(28-32-26(29)31-27(33-28)30-20-10-8-18(46-2)13-21(20)47(40,41)42)17-7-9-19-15(11-17)12-22(48(43,44)45)23(24(19)37)35-34-16-5-3-14(4-6-16)25(38)39;;;/h3-13,37H,1-2H3,(H,38,39)(H,40,41,42)(H,43,44,45)(H,30,31,32,33);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])N(C=4N=C(Cl)N=C(N4)NC5=CC=C(OC)C=C5S(=O)(=O)[O-])C)C=C1


cas: 84045-67-0
formula: C34H26N6O12S3
inchikey: PLPYYJOKXLXXIR-UHFFFAOYSA-K
norman_susdat_id: NS00058971
pubchem_cid: 135853974
name:
Trisodium 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methyl-4-sulphonatophenyl)azo]-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-3-(phenylazo)naphthalene-2-sulphonate

inchi:
InChI=1/C34H26N6O12S3.3Na/c1-18-13-24(53(44,45)46)9-12-27(18)38-40-31-29(55(50,51)52)17-20-15-23(8-11-26(20)33(31)42)36-34(43)35-22-7-10-25-19(14-22)16-28(54(47,48)49)30(32(25)41)39-37-21-5-3-2-4-6-21;;;/h2-17,41-42H,1H3,(H2,35,36,43)(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=2C(C1)=CC(=C(N=NC=3C=CC=CC3)C2O)S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=C(C=C6C)S(=O)(=O)[O-])C5O)S(=O)(=O)[O-]


name: Adipiplon
cas: 840486-93-3
dtxsid: DTXSID40232944
formula: C18H18FN7
inchikey: UAMAIHOEGLEXSV-UHFFFAOYSA-N
norman_susdat_id: NS00071907
smiles: CCCc1c(Cn2ccnc2-c2ncccc2F)ncn2nc(C)nc12
inchi:
InChI=1S/C18H18FN7/c1-3-5-13-15(22-11-26-17(13)23-12(2)24-26)10-25-9-8-21-18(25)16-14(19)6-4-7-20-16/h4,6-9,11H,3,5,10H2,1-2H3


name: 3-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium acetate
cas: 84051-82-1
formula: C14H21N6.C2H3O2
inchikey: SXIFEXXRCTYIPJ-UHFFFAOYSA-N
norman_susdat_id: NS00089561
smiles: [O-]C(C)=O.CCN(CC)c1ccc(cc1)N=N\C2=N\[NH+](C)CN2C
inchi:
InChI=1/C14H22N6.C2H4O2/c1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3;1-2(3)4/h7-10H,5-6,11H2,1-4H3;1H3,(H,3,4)


name: 5-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium acetate
cas: 84051-83-2
formula: C14H21N6.C2H3O2
inchikey: SMVRWBLZPDKCRL-UHFFFAOYSA-N
norman_susdat_id: NS00089562
smiles: CN2/C=N\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC.[O-]C(C)=O
inchi:
InChI=1/C14H22N6.C2H4O2/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;1-2(3)4/h7-11,14H,5-6H2,1-4H3;1H3,(H,3,4)


name: 1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium thiocyanate
cas: 84051-84-3
formula: C21H20Cl2N5O2.CNS
inchikey: SLSDMZJLAVZXLF-UHFFFAOYSA-M
norman_susdat_id: NS00090297
smiles: [S-]C#N.[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3
inchi:
InChI=1/C21H20Cl2N5O2.CHNS/c1-2-27(13-12-26-10-4-3-5-11-26)17-8-6-16(7-9-17)24-25-21-19(22)14-18(28(29)30)15-20(21)23;2-1-3/h3-11,14-15H,2,12-13H2,1H3;3H/q+1;/p-1


name: 1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-m-tolyl]ethylamino]ethyl]pyridinium acetate
cas: 84051-85-4
formula: C22H22Cl2N5O2.C2H3O2
inchikey: LBHDILWMGJVBDB-UHFFFAOYSA-M
norman_susdat_id: NS00089804
smiles: [O-]C(C)=O.[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1C)N(CC[n+]2ccccc2)CC)c(Cl)c3
inchi:
InChI=1/C22H22Cl2N5O2.C2H4O2/c1-3-28(12-11-27-9-5-4-6-10-27)17-7-8-21(16(2)13-17)25-26-22-19(23)14-18(29(30)31)15-20(22)24;1-2(3)4/h4-10,13-15H,3,11-12H2,1-2H3;1H3,(H,3,4)/q+1;/p-1


name: 1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-m-tolyl]ethylamino]ethyl]pyridinium thiocyanate
cas: 84051-86-5
formula: C22H23Cl2N5O2
inchikey: VGOORXVNJHSKPR-UHFFFAOYSA-M
norman_susdat_id: NS00058972
pubchem_cid: 44150234
smiles: N#C[S-].O=[N+]([O-])C1=CC(Cl)=C(N=NC2=CC=C(C=C2C)N(CC)CC[N+]=3C=CC=CC3)C(Cl)=C1
inchi:
InChI=1/C22H22Cl2N5O2.CHNS/c1-3-28(12-11-27-9-5-4-6-10-27)17-7-8-21(16(2)13-17)25-26-22-19(23)14-18(29(30)31)15-20(22)24;2-1-3/h4-10,13-15H,3,11-12H2,1-2H3;3H/q+1;/p-1


name: 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate
cas: 84051-87-6
formula: C19H23N4O2S.C2H3O2
inchikey: BLZWSNCCDXVOPZ-UHFFFAOYSA-M
norman_susdat_id: NS00089805
smiles: [O-]C(C)=O.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC
inchi:
InChI=1/C19H23N4O2S.C2H4O2/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;1-2(3)4/h5-10,13,24H,4,11-12H2,1-3H3;1H3,(H,3,4)/q+1;/p-1


name: 2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium thiocyanate
cas: 84051-88-7
formula: C19H23N4O2S.CNS
inchikey: JDPRVPNHJBNERH-UHFFFAOYSA-M
norman_susdat_id: NS00090298
smiles: [S-]C#N.CCN(CCO)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC
inchi:
InChI=1/C19H23N4O2S.CHNS/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19;2-1-3/h5-10,13,24H,4,11-12H2,1-3H3;3H/q+1;/p-1


cas: 84051-89-8
formula: C22H17N4O13PS3
inchikey: DEBDYAZORGUTHY-UHFFFAOYSA-J
norman_susdat_id: NS00059419
pubchem_cid: 136075858
name:
Tetrasodium hydrogen 7-hydroxy-8-[[4-[(3-phosphonatophenyl)azo]-2-sulphonatophenyl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C22H17N4O13PS3.4Na.H2/c27-18-7-4-12-8-16(41(31,32)33)11-20(43(37,38)39)21(12)22(18)26-25-17-6-5-14(10-19(17)42(34,35)36)24-23-13-2-1-3-15(9-13)40(28,29)30;;;;;/h1-11,27H,(H2,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;;1H/q;5*+1/p-5

smiles:
[H+].[Na+].[Na+].[Na+].[Na+].O=P([O-])([O-])C=1C=CC=C(N=NC2=CC=C(N=NC=3C(O)=CC=C4C=C(C=C(C43)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-])C1


cas: 84051-90-1
formula: C46H34Cl2N18O20S6
inchikey: HVBKENDZWQTFQH-UHFFFAOYSA-H
norman_susdat_id: NS00058973
pubchem_cid: NA
name:
Hexasodium 7,7'-[1,2-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bis(naphthalene-1,3,6-trisulphonate)

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

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=C(N)NC1=CC(=CC=C1N=NC=2C=C3C(C=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])NC4=NC(Cl)=NC(=N4)NC=5C=CC=CC5NC=6N=C(Cl)N=C(N6)NC7=CC=C(N=NC=8C=C9C(C=C(C=C9S(=O)(=O)[O-])S(=O)(=O)[O-])=CC8S(=O)(=O)[O-])C(=C7)NC(=O)N


cas: 84051-91-2
formula: C20H17ClN8O11S3.3Li
inchikey: GHAVRZBRBRRZFK-UHFFFAOYSA-K
norman_susdat_id: NS00090299
name:
Trilithium 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzene-1,4-disulphonate

inchi:
InChI=1/C20H17ClN8O11S3.3Li/c1-9-16(17(30)29(28-9)10-3-5-11(6-4-10)41(31,32)33)27-26-13-8-14(42(34,35)36)12(7-15(13)43(37,38)39)22-19-23-18(21)24-20(25-19)40-2;;;/h3-8,16H,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,22,23,24,25);;;/q;3*+1/p-3

smiles:
[Li+].[Li+].[Li+].[O-]S(=O)(=O)c4cc(N=NC2C(\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O)c(cc4Nc3nc(Cl)nc(OC)n3)S([O-])(=O)=O


cas: 84051-92-3
formula: C16H13N4O9PS.3Na
inchikey: OUMMOMYMQBTCHM-UHFFFAOYSA-K
norman_susdat_id: NS00089817
smiles: [H+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)c1cccc(c1)N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O
name:
Trisodium hydrogen 4,5-dihydro-5-oxo-4-[(3-phosphonatophenyl)azo]-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C16H13N4O9PS.3Na.H2/c21-15-13(18-17-9-2-1-3-11(8-9)30(24,25)26)14(16(22)23)19-20(15)10-4-6-12(7-5-10)31(27,28)29;;;;/h1-8,13H,(H,22,23)(H2,24,25,26)(H,27,28,29);;;;1H/q;4*+1/p-4


name: Calcium 3-hydroxy-4-[(5-sulphonato-1-naphthyl)azo]-2-naphthoate
cas: 84051-93-4
formula: C21H14N2O6S
inchikey: JAFWUJSHVAPNNP-UHFFFAOYSA-L
norman_susdat_id: NS00058989
pubchem_cid: 135832085
smiles: [Ca+2].O=C([O-])C1=CC=2C=CC=CC2C(N=NC3=CC=CC=4C3=CC=CC4S(=O)(=O)[O-])=C1O
inchi:
InChI=1/C21H14N2O6S.Ca/c24-20-16(21(25)26)11-12-5-1-2-6-13(12)19(20)23-22-17-9-3-8-15-14(17)7-4-10-18(15)30(27,28)29;/h1-11,24H,(H,25,26)(H,27,28,29);/q;+2/p-2


name: Acetoxy[2-[(2-aminoethyl)amino]propoxy]dibutyltin
cas: 84051-94-5
formula: C15H34N2O3Sn
inchikey: ASSRYCKRDFVJIF-UHFFFAOYSA-M
norman_susdat_id: NS00059420
pubchem_cid: NA
smiles: O=C(O[Sn](OCC(NCCN)C)(CCCC)CCCC)C
inchi:
InChI=1/C5H13N2O.2C4H9.C2H4O2.Sn/c1-5(4-8)7-3-2-6;2*1-3-4-2;1-2(3)4;/h5,7H,2-4,6H2,1H3;2*1,3-4H2,2H3;1H3,(H,3,4);/q-1;;;;+2/p-1/rC15H34N2O3Sn/c1-5-7-11-21(12-8-6-2,20-15(4)18)19-13-14(3)17-10-9-16/h14,17H,5-13,16H2,1-4H3


name: Bis[3-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium] tetrachlorozincate(2-)
cas: 84057-69-2
formula: C14H21N6.1/2Cl4Zn
inchikey: ZGMGIZCIAPJBFY-UHFFFAOYSA-L
norman_susdat_id: NS00090300
smiles: Cl[Zn-2](Cl)(Cl)Cl.CCN(CC)c1ccc(cc1)N=N\C2=N\[NH+](C)CN2C.CCN(CC)c1ccc(cc1)N=N\C2=N\[NH+](C)CN2C
inchi:
InChI=1/2C14H22N6.4ClH.Zn/c2*1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3;;;;;/h2*7-10H,5-6,11H2,1-4H3;4*1H;/q;;;;;;+2/p-2/r2C14H22N6.Cl4Zn/c2*1-5-20(6-2)13-9-7-12(8-10-13)15-16-14-17-19(4)11-18(14)3;1-5(2,3)4/h2*7-10H,5-6,11H2,1-4H3;/q;;-2/p+2


name: 3-[bis(2-cyanoethyl)amino]phenoxazin-5-ium tetrachlorozincate (2:1)
cas: 84057-77-2
dtxsid: DTXSID50232950
formula: C18H15N4O
inchikey: ZVDPHONKAIRWPP-UHFFFAOYSA-J
norman_susdat_id: NS00060449
pubchem_cid: 44146660
inchi:
InChI=1/2C18H15N4O.4ClH.Zn/c2*19-9-3-11-22(12-4-10-20)14-7-8-16-18(13-14)23-17-6-2-1-5-15(17)21-16;;;;;/h2*1-2,5-8,13H,3-4,11-12H2;4*1H;/q2*+1;;;;;+2/p-4/r2C18H15N4O.Cl4Zn/c2*19-9-3-11-22(12-4-10-20)14-7-8-16-18(13-14)23-17-6-2-1-5-15(17)21-16;1-5(2,3)4/h2*1-2,5-8,13H,3-4,11-12H2;/q2*+1;-2

smiles:
N#CCCN(C=1C=CC2=NC3=CC=CC=C3[O+]=C2C1)CCC#N.N#CCCN(C=1C=CC2=NC3=CC=CC=C3[O+]=C2C1)CCC#N.Cl[Zn-2](Cl)(Cl)Cl


name: Ropivacaine
cas: 84057-95-4
chebiid: CHEBI:8890
chemspiderid: 153165
dtxsid: DTXSID4040187
formula: C17H26N2O1
inchikey: ZKMNUMMKYBVTFN-HNNXBMFYSA-N
norman_susdat_id: NS00001426
pubchem_cid: 175805
smiles: CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C
inchi:
InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1


name: Benzyl[3-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthryl]amino]propyl]dimethylammonium chloride
cas: 84074-43-1
dtxsid: DTXSID801004358
formula: C27H30N3O2
inchikey: RQZOSTNXIVYGDL-UHFFFAOYSA-N
norman_susdat_id: NS00060562
pubchem_cid: NA
smiles: [Cl-].O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC)C13)NCCC[N+](C)(C)CC=4C=CC=CC4
inchi:
InChI=1/C27H29N3O2.ClH/c1-28-22-14-15-23(25-24(22)26(31)20-12-7-8-13-21(20)27(25)32)29-16-9-17-30(2,3)18-19-10-5-4-6-11-19;/h4-8,10-15H,9,16-18H2,1-3H3,(H-,28,29,31,32);1H


name: Docosanoic acid, compound with 2,2'-iminodiethanol (1:1)
cas: 84083-02-3
formula: C22H44O2.C4H11NO2
inchikey: OOBYKZQUBZATHI-UHFFFAOYSA-N
norman_susdat_id: NS00089885
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)O.OCCNCCO
inchi:
InChI=1/C22H44O2.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;6-3-1-5-2-4-7/h2-21H2,1H3,(H,23,24);5-7H,1-4H2


name: Docosanoic acid, compound with 2-aminoethanol (1:1)
cas: 84083-03-4
formula: C22H44O2.C2H7NO
inchikey: QVUATPXGZQRMDK-UHFFFAOYSA-N
norman_susdat_id: NS00089886
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)O.NCCO
inchi:
InChI=1/C22H44O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;3-1-2-4/h2-21H2,1H3,(H,23,24);4H,1-3H2


cas: 84083-04-5
formula: C20H19N3O11S3
inchikey: ZHWGTFYFZCBLSP-UHFFFAOYSA-L
norman_susdat_id: NS00058632
pubchem_cid: 135730199
smiles: [Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])C2O)S(=O)(=O)[O-])C
name:
Disodium 7-acetamido-4-hydroxy-3-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C20H19N3O11S3.2Na/c1-12(24)21-14-5-6-17-13(9-14)10-18(36(28,29)30)19(20(17)25)23-22-15-3-2-4-16(11-15)35(26,27)8-7-34-37(31,32)33;;/h2-6,9-11,25H,7-8H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


cas: 84083-05-6
formula: C21H21N3O15S4
inchikey: VVKKUIVPYNYDPU-UHFFFAOYSA-K
norman_susdat_id: NS00058619
pubchem_cid: 135730754
name:
Trisodium 4-(acetylamino)-5-hydroxy-6-[[4-methoxy-3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-1,7-disulphonate

inchi:
InChI=1/C21H21N3O15S4.3Na/c1-11(25)22-14-4-6-16(41(29,30)31)13-10-18(42(32,33)34)20(21(26)19(13)14)24-23-12-3-5-15(38-2)17(9-12)40(27,28)8-7-39-43(35,36)37;;;/h3-6,9-10,26H,7-8H2,1-2H3,(H,22,25)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(C=2C=C(C(N=NC3=CC=C(OC)C(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])=C(O)C12)S(=O)(=O)[O-])S(=O)(=O)[O-])C


cas: 84083-06-7
formula: C26H23N3O15S4
inchikey: QFVNZEICRYXJNI-UHFFFAOYSA-K
norman_susdat_id: NS00058633
pubchem_cid: 135730190
name:
Trisodium 5-(benzoylamino)-4-hydroxy-3-[[4-methoxy-3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C26H23N3O15S4.3Na/c1-43-20-8-7-17(13-21(20)45(32,33)10-9-44-48(40,41)42)28-29-24-22(47(37,38)39)12-16-11-18(46(34,35)36)14-19(23(16)25(24)30)27-26(31)15-5-3-2-4-6-15;;;/h2-8,11-14,30H,9-10H2,1H3,(H,27,31)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC=C(OC)C(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C=4C=CC=CC4


cas: 84083-07-8
formula: C34H31N3O9S2
inchikey: SVSKUNISPACGFI-UHFFFAOYSA-L
norman_susdat_id: NS00058634
pubchem_cid: NA
name:
Disodium 5-(benzoylamino)-3-[[2-[2-(tert-butyl)-5-methylphenoxy]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C34H31N3O9S2.2Na/c1-20-14-15-24(34(2,3)4)28(16-20)46-27-13-9-8-12-25(27)36-37-31-29(48(43,44)45)18-22-17-23(47(40,41)42)19-26(30(22)32(31)38)35-33(39)21-10-6-5-7-11-21;;/h5-19,38H,1-4H3,(H,35,39)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC=3C=CC=CC3OC4=CC(=CC=C4C(C)(C)C)C)C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C=5C=CC=CC5


name: Sodium 7-(acetylamino)-3-hydroxy-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]naphthalene-1-sulphonate
cas: 84083-08-9
formula: C19H16N4O8S.Na
inchikey: YHOPCRRCQXPFBB-UHFFFAOYSA-M
norman_susdat_id: NS00089428
smiles: [Na+].Oc3c(cc(C)cc3N=Nc2c1ccc(NC(C)=O)cc1c(cc2O)S([O-])(=O)=O)[N+]([O-])=O
inchi:
InChI=1/C19H16N4O8S.Na/c1-9-5-14(19(26)15(6-9)23(27)28)21-22-18-12-4-3-11(20-10(2)24)7-13(12)17(8-16(18)25)32(29,30)31;/h3-8,25-26H,1-2H3,(H,20,24)(H,29,30,31);/q;+1/p-1


cas: 84083-09-0
formula: C20H22N4O11S3
inchikey: SMFFPJXMOAERFY-UHFFFAOYSA-L
norman_susdat_id: NS00059575
pubchem_cid: 11970782
smiles: [Na+].[Na+].O=C1N(N=C(C)C1N=NC=2C=C(C(=CC2OC)S(=O)(=O)CCOS(=O)(=O)[O-])C)C3=CC=CC(=C3)S(=O)(=O)[O-]
name:
Disodium m-[4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C20H22N4O11S3.2Na/c1-12-9-16(17(34-3)11-18(12)36(26,27)8-7-35-38(31,32)33)21-22-19-13(2)23-24(20(19)25)14-5-4-6-15(10-14)37(28,29)30;;/h4-6,9-11,19H,7-8H2,1-3H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


cas: 84083-10-3
formula: C28H26N4O16S4
inchikey: SHYRGBKFDOFNBB-UHFFFAOYSA-K
norman_susdat_id: NS00059576
pubchem_cid: 135730187
name:
Trisodium 5-(acetylamino)-4-hydroxy-3-[[4-[[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]carbonyl]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C28H26N4O16S4.3Na/c1-15(33)29-22-14-20(50(38,39)40)11-17-12-24(51(41,42)43)26(27(34)25(17)22)32-31-18-5-3-16(4-6-18)28(35)30-21-13-19(7-8-23(21)47-2)49(36,37)10-9-48-52(44,45)46;;;/h3-8,11-14,34H,9-10H2,1-2H3,(H,29,33)(H,30,35)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC(=CC=C1OC)S(=O)(=O)CCOS(=O)(=O)[O-])C2=CC=C(N=NC=3C(O)=C4C(C=C(C=C4NC(=O)C)S(=O)(=O)[O-])=CC3S(=O)(=O)[O-])C=C2


cas: 84083-11-4
formula: C28H23N5O16S5
inchikey: JTJYLXJWOIPCOC-UHFFFAOYSA-J
norman_susdat_id: NS00058173
pubchem_cid: NA
name:
Tetrasodium 4-amino-5-hydroxy-6-[(1-sulphonato-2-naphthyl)azo]-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C28H23N5O16S5.4Na/c29-24-23-16(13-21(51(37,38)39)25(24)32-30-17-6-8-18(9-7-17)50(35,36)12-11-49-54(46,47)48)14-22(52(40,41)42)26(27(23)34)33-31-20-10-5-15-3-1-2-4-19(15)28(20)53(43,44)45;;;;/h1-10,13-14,34H,11-12,29H2,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])OCCS(=O)(=O)C1=CC=C(N=NC=2C(N)=C3C(C=C(C(N=NC=4C=CC=5C=CC=CC5C4S(=O)(=O)[O-])=C3O)S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])C=C1


name: 5-chloro-4-(cyclohexylmethylamino)-2-(trifluoromethyl)benzenediazonium tetrafluoroborate
cas: 84083-13-6
dtxsid: DTXSID201004362
formula: C14H16ClF3N3
inchikey: QSHAYFAXQWSTJU-UHFFFAOYSA-N
norman_susdat_id: NS00058620
pubchem_cid: 44148501
smiles: N#[N+]C1=CC(Cl)=C(C=C1C(F)(F)F)N(C)C2CCCCC2.F[B-](F)(F)F
inchi:
InChI=1/C14H16ClF3N3.BF4/c1-21(9-5-3-2-4-6-9)13-7-10(14(16,17)18)12(20-19)8-11(13)15;2-1(3,4)5/h7-9H,2-6H2,1H3;/q+1;-1


name: 3-chloro-4-cyclohexylmethylaminobenzenediazonium tetrafluoroborate
cas: 84083-14-7
dtxsid: DTXSID901004363
formula: C13H17ClN3
inchikey: XHEUVVAPCWQXSN-UHFFFAOYSA-N
norman_susdat_id: NS00058175
pubchem_cid: 16205445
smiles: N#[N+]C1=CC=C(NCC2CCCCC2)C(Cl)=C1.F[B-](F)(F)F
inchi:
InChI=1/C13H17ClN3.BF4/c14-12-8-11(17-15)6-7-13(12)16-9-10-4-2-1-3-5-10;2-1(3,4)5/h6-8,10,16H,1-5,9H2;/q+1;-1


name: 4-Bromo-3,5-dihydroxy-N-(2-(1-pyrrolidinyl)phenyl)benzamide
cas: 84083-15-8
chemspiderid: 2286774
dtxsid: DTXSID00232960
formula: C17H17Br1N2O3
inchikey: JERQMMFDQOYDSE-UHFFFAOYSA-N
norman_susdat_id: NS00038398
pubchem_cid: 3019649
smiles: Oc1cc(cc(O)c1Br)C(=O)Nc1c(cccc1)N1CCCC1
inchi:
InChI=1S/C17H17BrN2O3/c18-16-14(21)9-11(10-15(16)22)17(23)19-12-5-1-2-6-13(12)20-7-3-4-8-20/h1-2,5-6,9-10,21-22H,3-4,7-8H2,(H,19,23)


name: 3-[4-(diethylamino)phenyl]-3-(p-tolyl)phthalide
cas: 84083-17-0
dtxsid: DTXSID601004364
formula: C25H25NO2
inchikey: ITVGBYWULHOXRJ-UHFFFAOYSA-N
norman_susdat_id: NS00058621
pubchem_cid: 44154211
smiles: O=C1OC(C2=CC=C(C=C2)N(CC)CC)(C3=CC=C(C=C3)C)C=4C=CC=CC14
inchi:
InChI=1/C25H25NO2/c1-4-26(5-2)21-16-14-20(15-17-21)25(19-12-10-18(3)11-13-19)23-9-7-6-8-22(23)24(27)28-25/h6-17H,4-5H2,1-3H3


name: 2,7-bis(3-methoxypropyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
cas: 84083-18-1
dtxsid: DTXSID301004365
formula: C22H22N2O6
inchikey: VZEBIJMLBREBNW-UHFFFAOYSA-N
norman_susdat_id: NS00059578
pubchem_cid: 2900151
smiles: O=C1C2=CC=C3C(=O)N(C(=O)C4=CC=C(C(=O)N1CCCOC)C2=C34)CCCOC
inchi:
InChI=1/C22H22N2O6/c1-29-11-3-9-23-19(25)13-5-7-15-18-16(8-6-14(17(13)18)20(23)26)22(28)24(21(15)27)10-4-12-30-2/h5-8H,3-4,9-12H2,1-2H3


name: N-Butyl-5-ethyl-8-hydroxynaphthalene-1-sulphonamide
cas: 84083-19-2
chemspiderid: 2286775
dtxsid: DTXSID60232961
formula: C16H21N1O3S1
inchikey: JXYVAHQNXHGAHN-UHFFFAOYSA-N
norman_susdat_id: NS00038400
pubchem_cid: 3019650
smiles: CCCCNS(=O)(=O)c1cccc2c1c(O)ccc2CC
inchi:
InChI=1S/C16H21NO3S/c1-3-5-11-17-21(19,20)15-8-6-7-13-12(4-2)9-10-14(18)16(13)15/h6-10,17-18H,3-5,11H2,1-2H3


name: N2,N5-diacetyl-L-ornithine, compound with 2-(dimethylamino)ethanol (1:1)
cas: 84083-22-7
dtxsid: DTXSID20232962
formula: C9H16N2O4
inchikey: CGSDOMROKWCZRT-QRPNPIFTSA-N
norman_susdat_id: NS00058176
pubchem_cid: 57354184
smiles: O=C(NCCCC(NC(=O)C)C(=O)O)C.OCCN(C)C
inchi:
InChI=1/C9H16N2O4.C4H11NO/c1-6(12)10-5-3-4-8(9(14)15)11-7(2)13;1-5(2)3-4-6/h8H,3-5H2,1-2H3,(H,10,12)(H,11,13)(H,14,15);6H,3-4H2,1-2H3


name: L-asparagine, compound with L-seryl dihydrogen phosphate (2:1)
cas: 84083-23-8
formula: C4H8N2O3.1/2C3H8NO6P
inchikey: VFPWBRXRQYQGTG-NYIJDJKZSA-N
norman_susdat_id: NS00089423
smiles: N[C@@H](CC(=O)N)C(=O)O.N[C@@H](CC(=O)N)C(=O)O.N[C@@H](CO)C(=O)OP(=O)(O)O
inchi:
InChI=1/2C4H8N2O3.C3H8NO6P/c2*5-2(4(8)9)1-3(6)7;4-2(1-5)3(6)10-11(7,8)9/h2*2H,1,5H2,(H2,6,7)(H,8,9);2,5H,1,4H2,(H2,7,8,9)


cas: 84083-28-3
formula: C22H15Cl3N4O5S
inchikey: ZXAWZDMHFAYWRO-UHFFFAOYSA-M
norman_susdat_id: NS00058622
pubchem_cid: 3019653
smiles: [Na+].O=C1N(N=C(C)C1N=NC=2C=CC=CC2OC3=CC=C(Cl)C=C3Cl)C4=CC(=CC=C4Cl)S(=O)(=O)[O-]
name:
Sodium 4-chloro-3-[4-[[2-(2,4-dichlorophenoxy)phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C22H15Cl3N4O5S.Na/c1-12-21(22(30)29(28-12)18-11-14(35(31,32)33)7-8-15(18)24)27-26-17-4-2-3-5-20(17)34-19-9-6-13(23)10-16(19)25;/h2-11,21H,1H3,(H,31,32,33);/q;+1/p-1


name: Roquinimex
cas: 84088-42-6
chebiid: CHEBI:92056
dtxsid: DTXSID4045680
formula: C18H16N2O3
inchikey: SGOOQMRIPALTEL-UHFFFAOYSA-N
norman_susdat_id: NS00073174
pubchem_cid: 54676478
smiles: CN(C(=O)c1c(O)c2ccccc2n(C)c1=O)c1ccccc1
inchi:
InChI=1S/C18H16N2O3/c1-19(12-8-4-3-5-9-12)17(22)15-16(21)13-10-6-7-11-14(13)20(2)18(15)23/h3-11,21H,1-2H3


name: Sodium 2-[[3-[(3-amino-4-nitrophenyl)azo]-2,4-dihydroxyphenyl]azo]-5-nitrobenzenesulphonate
cas: 84099-99-0
formula: C18H15N7O9S
inchikey: SMXYAYHJSYHCIW-UHFFFAOYSA-M
norman_susdat_id: NS00058201
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C1=CC=C(N=NC2=CC=C(O)C(N=NC3=CC=C(C(N)=C3)[N+](=O)[O-])=C2O)C(=C1)S(=O)(=O)[O-]
inchi:
InChI=1/C18H13N7O9S.Na/c19-11-7-9(1-5-14(11)25(30)31)20-23-17-15(26)6-4-13(18(17)27)22-21-12-3-2-10(24(28)29)8-16(12)35(32,33)34;/h1-8,26-27H,19H2,(H,32,33,34);/q;+1/p-1


name: Methoprotryne
cas: 841-06-5
chebiid: CHEBI:82226
chemspiderid: 12730
dtxsid: DTXSID2040286
formula: C11H21N5O1S1
inchikey: DDUIUBPJPOKOMV-UHFFFAOYSA-N
norman_susdat_id: NS00002050
pubchem_cid: 13290
smiles: COCCCNc1nc(NC(C)C)nc(SC)n1
inchi:
InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)


name: Benzeneacetic acid, .alpha.-phenyl-.alpha.-propyl-
cas: 841-32-7
chemspiderid: 87336
dtxsid: DTXSID9061203
formula: C17H18O2
inchikey: IVYXLCYENQNVHM-UHFFFAOYSA-N
norman_susdat_id: NS00038421
pubchem_cid: 96732
smiles: CCCC(C(=O)O)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C17H18O2/c1-2-13-17(16(18)19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,18,19)


name: Bucolome
cas: 841-73-6
chemspiderid: 2367
dtxsid: DTXSID4048854
formula: C14H22N2O3
inchikey: DVEQCIBLXRSYPH-UHFFFAOYNA-N
norman_susdat_id: NS00038443
pubchem_cid: NA
smiles: CCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O
inchi:
InChI=1S/C14H22N2O3/c1-2-3-9-11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h10-11H,2-9H2,1H3,(H,15,17,19)/t11-/m1/s1


name: 2-[[3-[(3-amino-4-nitrophenyl)azo]-2,4-dihydroxyphenyl]azo]-5-nitrobenzenesulphonic acid
cas: 84100-00-5
formula: C18H13N7O9S
inchikey: PUQKDJCNWCGSHS-UHFFFAOYSA-N
norman_susdat_id: NS00089910
smiles: Oc2c(ccc(O)c2N=Nc1ccc([N+]([O-])=O)c(N)c1)N=Nc3ccc(cc3S(O)(=O)=O)[N+]([O-])=O
inchi:
InChI=1/C18H13N7O9S/c19-11-7-9(1-5-14(11)25(30)31)20-23-17-15(26)6-4-13(18(17)27)22-21-12-3-2-10(24(28)29)8-16(12)35(32,33)34/h1-8,26-27H,19H2,(H,32,33,34)


name: Disodium 3-methyl-5-[(6-sulphonato-2-naphthyl)azo]salicylate
cas: 84100-01-6
formula: C18H14N2O6S.2Na
inchikey: SVPGNVUJXUQAAX-UHFFFAOYSA-L
norman_susdat_id: NS00089440
smiles: [Na+].[Na+].Cc3cc(N=Nc1cc2ccc(cc2cc1)S([O-])(=O)=O)cc(C([O-])=O)c3O
inchi:
InChI=1/C18H14N2O6S.2Na/c1-10-6-14(9-16(17(10)21)18(22)23)20-19-13-4-2-12-8-15(27(24,25)26)5-3-11(12)7-13;;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);;/q;2*+1/p-2


name: 3-methyl-5-[(6-sulpho-2-naphthyl)azo]salicylic acid
cas: 84100-02-7
formula: C18H14N2O6S
inchikey: TXCLQELZMLNMFZ-UHFFFAOYSA-N
norman_susdat_id: NS00058202
pubchem_cid: 3019658
smiles: O=C(O)C1=CC(N=NC=2C=CC3=CC(=CC=C3C2)S(=O)(=O)O)=CC(=C1O)C
inchi:
InChI=1/C18H14N2O6S/c1-10-6-14(9-16(17(10)21)18(22)23)20-19-13-4-2-12-8-15(27(24,25)26)5-3-11(12)7-13/h2-9,21H,1H3,(H,22,23)(H,24,25,26)


cas: 84100-03-8
formula: C18H17N3O13S4.3Na
inchikey: SBELSJCGRODFGD-UHFFFAOYSA-K
norman_susdat_id: NS00089911
name:
Trisodium 4-amino-5-hydroxy-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C18H17N3O13S4.3Na/c19-17-16-10(7-13(9-14(16)22)36(25,26)27)8-15(37(28,29)30)18(17)21-20-11-1-3-12(4-2-11)35(23,24)6-5-34-38(31,32)33;;;/h1-4,7-9,22H,5-6,19H2,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N=Nc2c(N)c3c(cc2S([O-])(=O)=O)cc(cc3O)S([O-])(=O)=O


cas: 84100-04-9
formula: C19H16ClN9O7S2
inchikey: VEJQKVWMVKTOJJ-UHFFFAOYSA-N
norman_susdat_id: NS00058203
pubchem_cid: 11970789
smiles: O=C1N(N=C(C)C1N=NC2=CC(=CC=C2S(=O)(=O)O)NC=3N=C(Cl)N=C(N3)N)C4=CC=C(C=C4)S(=O)(=O)O
name:
4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonic acid

inchi:
InChI=1/C19H16ClN9O7S2/c1-9-15(16(30)29(28-9)11-3-5-12(6-4-11)37(31,32)33)27-26-13-8-10(2-7-14(13)38(34,35)36)22-19-24-17(20)23-18(21)25-19/h2-8,15H,1H3,(H,31,32,33)(H,34,35,36)(H3,21,22,23,24,25)


cas: 84100-05-0
formula: C19H16ClN9O7S2.2Na
inchikey: BMTKLUKLKZQLSB-UHFFFAOYSA-L
norman_susdat_id: NS00089435
smiles: [Na+].[Na+].Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O
name:
Disodium 4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzenesulphonate

inchi:
InChI=1/C19H16ClN9O7S2.2Na/c1-9-15(16(30)29(28-9)11-3-5-12(6-4-11)37(31,32)33)27-26-13-8-10(2-7-14(13)38(34,35)36)22-19-24-17(20)23-18(21)25-19;;/h2-8,15H,1H3,(H,31,32,33)(H,34,35,36)(H3,21,22,23,24,25);;/q;2*+1/p-2


name: 4-[[2-methoxy-5-methyl-4-[(3-nitrophenyl)azo]phenyl]azo]phenol
cas: 84100-06-1
formula: C20H18N5O4
inchikey: NPLUVYLGXGYHTE-UHFFFAOYSA-N
norman_susdat_id: NS00059617
pubchem_cid: 3019659
smiles: O=[N+]([O-])C=1C=CC=C(N=NC=2C=C(OC)C(N=NC3=CC=C(O)C=C3)=CC2C)C1
inchi:
InChI=1/C20H17N5O4/c1-13-10-19(24-21-14-6-8-17(26)9-7-14)20(29-2)12-18(13)23-22-15-4-3-5-16(11-15)25(27)28/h3-12,26H,1-2H3


name: N-(2-chloroethyl)-3-[ethyl[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]amino]propionamide
cas: 84100-07-2
formula: C20H22ClN6O3S
inchikey: UDSMBLVBRYEGJY-UHFFFAOYSA-N
norman_susdat_id: NS00058204
pubchem_cid: 16205447
smiles: O=C(NCCCl)CCN(C1=CC=C(N=NC=2SN=C3C=CC(=CC23)[N+](=O)[O-])C=C1)CC
inchi:
InChI=1/C20H21ClN6O3S/c1-2-26(12-9-19(28)22-11-10-21)15-5-3-14(4-6-15)23-24-20-17-13-16(27(29)30)7-8-18(17)25-31-20/h3-8,13H,2,9-12H2,1H3,(H,22,28)


name: N-[5-(diethylamino)-2-[[6-(methylsulphonyl)-2-benzothiazolyl]azo]phenyl]acetamide
cas: 84100-08-3
formula: C20H23N5O3S2
inchikey: WQMTZBFEBBDAAD-UHFFFAOYSA-N
norman_susdat_id: NS00059618
pubchem_cid: 3019660
smiles: O=C(NC1=CC(=CC=C1N=NC2=NC=3C=CC(=CC3S2)S(=O)(=O)C)N(CC)CC)C
inchi:
InChI=1/C20H23N5O3S2/c1-5-25(6-2)14-7-9-16(18(11-14)21-13(3)26)23-24-20-22-17-10-8-15(30(4,27)28)12-19(17)29-20/h7-12H,5-6H2,1-4H3,(H,21,26)


name: Bis[2-[[(p-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium] carbonate
cas: 84100-09-4
formula: C20H24N3O.1/2CO3
inchikey: FZJDCXGDAFKMJY-UHFFFAOYSA-N
norman_susdat_id: NS00089912
inchi:
InChI=1/2C20H23N3O.CH2O3/c2*1-20(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;2-1(3)4/h2*5-12,14H,13H2,1-4H3;(H2,2,3,4)

smiles:
[O-]C([O-])=O.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C


cas: 84100-10-7
formula: C21H22N5O8S
inchikey: SRCABEWMQJCWJZ-UHFFFAOYSA-N
norman_susdat_id: NS00058647
pubchem_cid: 3019661
smiles: O=C(OCCS(=O)(=O)C1=CC=C(OC)C(=C1)N2N=C(C)C(N=NC=3C=CC=CC3[N+](=O)[O-])C2=O)C
name:
2-[5-[[2-(acetoxy)ethyl]sulphonyl]-2-methoxyphenyl]-2,4-dihydro-5-methyl-4-[(2-nitrophenyl)azo]-3H-pyrazol-3-one

inchi:
InChI=1/C21H21N5O8S/c1-13-20(23-22-16-6-4-5-7-17(16)26(29)30)21(28)25(24-13)18-12-15(8-9-19(18)33-3)35(31,32)11-10-34-14(2)27/h4-9,12,20H,10-11H2,1-3H3


name: 2-(N-(p-Chlorophenyl)carbamoyl)-3-naphthyl acetate
cas: 84100-15-2
chemspiderid: 2286783
dtxsid: DTXSID70232972
formula: C19H14Cl1N1O3
inchikey: INHDDLDQONYNHO-UHFFFAOYSA-N
norman_susdat_id: NS00038402
pubchem_cid: 4291037
smiles: CC(=O)Oc1cc2c(cccc2)cc1C(=O)Nc1ccc(Cl)cc1
inchi:
InChI=1S/C19H14ClNO3/c1-12(22)24-18-11-14-5-3-2-4-13(14)10-17(18)19(23)21-16-8-6-15(20)7-9-16/h2-11H,1H3,(H,21,23)


name: 2-[N-(4-chloro-2-methylphenyl)carbamoyl]-3-naphthyl acetate
cas: 84100-16-3
dtxsid: DTXSID601004376
formula: C20H16ClNO3
inchikey: YDDXGGLEFKLWAW-UHFFFAOYSA-N
norman_susdat_id: NS00058662
pubchem_cid: 984642
smiles: O=C(OC1=CC=2C=CC=CC2C=C1C(=O)NC3=CC=C(Cl)C=C3C)C
inchi:
InChI=1/C20H16ClNO3/c1-12-9-16(21)7-8-18(12)22-20(24)17-10-14-5-3-4-6-15(14)11-19(17)25-13(2)23/h3-11H,1-2H3,(H,22,24)


cas: 84100-21-0
formula: C20H29NO4.C4H4O4
inchikey: VMSOGWUYAVQENJ-BTJKTKAUSA-N
norman_susdat_id: NS00089437
smiles: CC(CCN1CCOCC1)OC(=O)C2(CCOCC2)c3ccccc3.OC(=O)\C=C/C(=O)O
name:
Maleic acid, compound with 1-methyl-3-morpholinopropyl 4-phenyltetrahydro-2H-pyran-4-carboxylate (1:1)

inchi:
InChI=1/C20H29NO4.C4H4O4/c1-17(7-10-21-11-15-24-16-12-21)25-19(22)20(8-13-23-14-9-20)18-5-3-2-4-6-18;5-3(6)1-2-4(7)8/h2-6,17H,7-16H2,1H3;1-2H,(H,5,6)(H,7,8)


name: 2,2-dimethyl-3-[(1-oxoallyl)oxy]propyltrimethylammonium methyl sulphate
cas: 84100-28-7
dtxsid: DTXSID70232977
formula: C11H22NO2
inchikey: GDNYTRIDABFTCM-UHFFFAOYSA-M
norman_susdat_id: NS00059620
pubchem_cid: 25090884
smiles: O=C(OCC(C)(C)C[N+](C)(C)C)C=C.O=S(=O)([O-])OC
inchi:
InChI=1/C11H22NO2.CH4O4S/c1-7-10(13)14-9-11(2,3)8-12(4,5)6;1-5-6(2,3)4/h7H,1,8-9H2,2-6H3;1H3,(H,2,3,4)/q+1;/p-1


name: Trisodium naphthalene-1,3,7-trisulphonate
cas: 84100-31-2
dtxsid: DTXSID30232978
formula: C10H8O9S3
inchikey: ZMIKQGGRDSRURY-UHFFFAOYSA-K
norman_susdat_id: NS00058663
pubchem_cid: 11970791
smiles: [Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC2=CC(=CC(=C2C1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O9S3.3Na/c11-20(12,13)7-2-1-6-3-8(21(14,15)16)5-10(9(6)4-7)22(17,18)19;;;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);;;/q;3*+1/p-3


name: Sodium 2-amino-6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)toluene-4-sulphonate
cas: 84100-32-3
chemspiderid: 2286789
dtxsid: DTXSID90232979
formula: C11H9Cl1F2N4O3S1
inchikey: MFCDEHPQPKZEKI-UHFFFAOYSA-M
norman_susdat_id: NS00038405
pubchem_cid: 23662492
smiles: [Na+].Cc1c(N)cc(cc1Nc1nc(F)nc(F)c1Cl)S(=O)(=O)[O-]
inchi:
InChI=1S/C11H9ClF2N4O3S/c1-4-6(15)2-5(22(19,20)21)3-7(4)16-10-8(12)9(13)17-11(14)18-10/h2-3H,15H2,1H3,(H,16,17,18)(H,19,20,21)


name: (5-acetamido-2-ethoxyphenyl)bis(2-acetoxyethyl)ammonium acetate
cas: 84100-33-4
formula: C18H26N2O6.C2H4O2
inchikey: FYYAIYGUSMAKNK-UHFFFAOYSA-N
norman_susdat_id: NS00089162
smiles: CCOc1ccc(NC(=O)C)cc1[NH+](CCOC(=O)C)CCOC(=O)C.CC(=O)[O-]
inchi:
InChI=1/C18H26N2O6.C2H4O2/c1-5-24-18-7-6-16(19-13(2)21)12-17(18)20(8-10-25-14(3)22)9-11-26-15(4)23;1-2(3)4/h6-7,12H,5,8-11H2,1-4H3,(H,19,21);1H3,(H,3,4)


name: Potassium 5-[(1-ethylpyrrolidin-2-ylidene)ethylidene]-4-oxo-2-thioxothiazolidin-3-ethanesulphonate
cas: 84100-34-5
formula: C13H18N2O4S3
inchikey: YNQPEDOIJUXVKJ-UHFFFAOYSA-M
norman_susdat_id: NS00059434
pubchem_cid: 57354190
smiles: [K+].O=C1C(SC(=S)N1CCS(=O)(=O)[O-])=CC=C2N(CC)CCC2
inchi:
InChI=1/C13H18N2O4S3.K/c1-2-14-7-3-4-10(14)5-6-11-12(16)15(13(20)21-11)8-9-22(17,18)19;/h5-6H,2-4,7-9H2,1H3,(H,17,18,19);/q;+1/p-1


cas: 84100-35-6
formula: C21H18N4O8S2
inchikey: CFGLEQQCHNCICA-UHFFFAOYSA-L
norman_susdat_id: NS00057999
pubchem_cid: NA
smiles: [Na+].[Na+].O=C1C(=CC2=C(O)N(N=C2C)C3=CC=CC(=C3)S(=O)(=O)[O-])C(=NN1C4=CC=CC(=C4)S(=O)(=O)[O-])C
name:
Disodium m-[4,5-dihydro-4-[[5-hydroxy-3-methyl-1-(3-sulphonatophenyl)-1H-pyrazol-4-yl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C21H18N4O8S2.2Na/c1-12-18(20(26)24(22-12)14-5-3-7-16(9-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-6-4-8-17(10-15)35(31,32)33;;/h3-11,26H,1-2H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


cas: 84100-41-4
dtxsid: DTXSID001004380
formula: C35H37ClN3O5S
inchikey: GURULCOTEMRHIX-UHFFFAOYSA-N
norman_susdat_id: NS00059435
pubchem_cid: NA
name:
1-[4-[(acetylamino)sulphonyl]butyl]-2-[2-[2-(4-chlorophenyl)-1-methyl-1H-indol-3-yl]vinyl]-5-(methoxycarbonyl)-3,3-dimethyl-3H-indolium bromide

inchi:
InChI=1/C35H36ClN3O5S.BrH/c1-23(40)37-45(42,43)21-9-8-20-39-31-18-14-25(34(41)44-5)22-29(31)35(2,3)32(39)19-17-28-27-10-6-7-11-30(27)38(4)33(28)24-12-15-26(36)16-13-24;/h6-7,10-19,22H,8-9,20-21H2,1-5H3;1H

smiles:
[Br-].O=C(OC)C=1C=CC2=C(C1)C(C(C=CC=3C=4C=CC=CC4N(C3C=5C=CC(Cl)=CC5)C)=[N+]2CCCCS(=O)(=O)NC(=O)C)(C)C


cas: 84100-44-7
formula: C26H23N3O9S2.H3N
inchikey: CIUWFJUMPZKLMA-UHFFFAOYSA-N
norman_susdat_id: NS00089338
smiles: [H+].[NH4+].[O-]C(=O)c1cc(ccc1O)S(=O)(=O)c2ccc(cc2N4/N=C(/C)C(=Cc3ccc(cc3)N(C)C)C4=O)S([O-])(=O)=O
name:
Ammonium hydrogen 5-[[2-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-sulphonatophenyl]sulphonyl]salicylate

inchi:
InChI=1/C26H23N3O9S2.H3N.H2/c1-15-20(12-16-4-6-17(7-5-16)28(2)3)25(31)29(27-15)22-14-19(40(36,37)38)9-11-24(22)39(34,35)18-8-10-23(30)21(13-18)26(32)33;;/h4-14,30H,1-3H3,(H,32,33)(H,36,37,38);1H3;1H/q;;+1/p-1


name: Sodium 3-[2-[[3-[4-(hexadecyloxy)phenyl]-1,3-dioxopropyl]amino]thiazol-4-yl]benzenesulphonate
cas: 84100-45-8
dtxsid: DTXSID00232980
formula: C34H46N2O6S2
inchikey: QBXNLZDZGBFMJV-UHFFFAOYSA-M
norman_susdat_id: NS00058437
pubchem_cid: 3019681
smiles: [Na+].O=C(NC1=NC(=CS1)C=2C=CC=C(C2)S(=O)(=O)[O-])CC(=O)C3=CC=C(OCCCCCCCCCCCCCCCC)C=C3
inchi:
InChI=1/C34H46N2O6S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-42-29-21-19-27(20-22-29)32(37)25-33(38)36-34-35-31(26-43-34)28-17-16-18-30(24-28)44(39,40)41;/h16-22,24,26H,2-15,23,25H2,1H3,(H,35,36,38)(H,39,40,41);/q;+1/p-1


name: 4-((4-(Diethylamino)phenyl)amino)butane-1-sulphonic acid
cas: 84100-60-7
chemspiderid: 2286797
dtxsid: DTXSID20232987
formula: C14H24N2O3S1
inchikey: ZRUAQCLXACBIRB-UHFFFAOYSA-N
norman_susdat_id: NS00038412
pubchem_cid: 3019689
smiles: CCN(CC)c1ccc(NCCCCS(=O)(=O)O)cc1
inchi:
InChI=1S/C14H24N2O3S/c1-3-16(4-2)14-9-7-13(8-10-14)15-11-5-6-12-20(17,18)19/h7-10,15H,3-6,11-12H2,1-2H3,(H,17,18,19)


cas: 84100-61-8
dtxsid: DTXSID801004384
formula: C33H45ClF3N3O4S
inchikey: ANNZWPZMJJEIQM-UHFFFAOYSA-N
norman_susdat_id: NS00058492
pubchem_cid: NA
smiles: O=C1N(N=C(NC2=CC=C(C=C2)S(=O)(=O)CCCCCCCCCCCCCCCC)C1)C=3C=CC=CC3OC(F)(F)C(F)Cl
name:
2-[2-(2-chloro-1,1,2-trifluoroethoxy)phenyl]-5-[[4-(hexadecylsulphonyl)phenyl]amino]-2,4-dihydro-3H-pyrazol-3-one

inchi:
InChI=1/C33H45ClF3N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-45(42,43)27-22-20-26(21-23-27)38-30-25-31(41)40(39-30)28-18-15-16-19-29(28)44-33(36,37)32(34)35/h15-16,18-23,32H,2-14,17,24-25H2,1H3,(H,38,39)


name: N-(4-(N-Hexadecyl-N-methylsulphamoyl)-2,5-dimethoxyphenyl)-3-(p-methoxyphenyl)-3-oxopropionamide
cas: 84100-62-9
chemspiderid: 2286799
dtxsid: DTXSID80232988
formula: C35H54N2O7S1
inchikey: JWXDECGPVODUNI-UHFFFAOYSA-N
norman_susdat_id: NS00038413
pubchem_cid: 3019691
smiles: CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1cc(OC)c(NC(=O)CC(=O)c2ccc(OC)cc2)cc1OC
inchi:
InChI=1S/C35H54N2O7S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-37(2)45(40,41)34-27-32(43-4)30(25-33(34)44-5)36-35(39)26-31(38)28-20-22-29(42-3)23-21-28/h20-23,25,27H,6-19,24,26H2,1-5H3,(H,36,39)


name: Sodium hydroxy[(trichlorophenyl)methyl]benzenesulphonate
cas: 84100-70-9
dtxsid: DTXSID501004385
formula: C13H9Cl3O4S
inchikey: FNABYFRAJPOTKM-UHFFFAOYSA-M
norman_susdat_id: NS00058423
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(C1O)CC2=CC=C(Cl)C(Cl)=C2Cl
inchi:
InChI=1/C13H9Cl3O4S.Na/c14-9-5-4-7(11(15)12(9)16)6-8-2-1-3-10(13(8)17)21(18,19)20;/h1-5,17H,6H2,(H,18,19,20);/q;+1/p-1


name: [(5-chloro-4-hydroxy-1,3-phenylene)di(methylene)]di(salicylic) acid
cas: 84100-71-0
formula: C22H17ClO7
inchikey: LYDKYQIIYYNYMK-UHFFFAOYSA-N
norman_susdat_id: NS00058424
pubchem_cid: 91844642
smiles: O=C(O)C=1C=CC=CC1OCC2=CC(Cl)=C(O)C(=C2)COC=3C=CC=CC3C(=O)O
inchi:
InChI=1/C22H17ClO7/c23-17-10-13(11-29-18-7-3-1-5-15(18)21(25)26)9-14(20(17)24)12-30-19-8-4-2-6-16(19)22(27)28/h1-10,24H,11-12H2,(H,25,26)(H,27,28)


name: Ammonium 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxoanthracene-2-sulphonate
cas: 84100-72-1
formula: C14H9NO7S.H3N
inchikey: OTBMPEMZTDBNAF-UHFFFAOYSA-N
norman_susdat_id: NS00089386
smiles: [NH4+].Nc1c(O)c(c(O)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-]
inchi:
InChI=1/C14H9NO7S.H3N/c15-9-7-8(12(18)14(13(9)19)23(20,21)22)11(17)6-4-2-1-3-5(6)10(7)16;/h1-4,18-19H,15H2,(H,20,21,22);1H3


name: Potassium 4-amino-9,10-dihydro-1,3-dihydroxy-9,10-dioxoanthracene-2-sulphonate
cas: 84100-73-2
formula: C14H9NO7S.K
inchikey: CGUUGSDXCLITKQ-UHFFFAOYSA-M
norman_susdat_id: NS00089822
smiles: [K+].Nc1c(O)c(c(O)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-]
inchi:
InChI=1/C14H9NO7S.K/c15-9-7-8(12(18)14(13(9)19)23(20,21)22)11(17)6-4-2-1-3-5(6)10(7)16;/h1-4,18-19H,15H2,(H,20,21,22);/q;+1/p-1


cas: 84100-74-3
chemspiderid: 10144178
dtxsid: DTXSID10232991
formula: C26H18Cl1F2N5O8S2
inchikey: BZDOIRTYNHIAPB-UHFFFAOYSA-L
norman_susdat_id: NS00038414
pubchem_cid: 11970797
name:
Disodium 1-amino-4-((2-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-4-methyl-6-sulphonatophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1S/C26H18ClF2N5O8S2/c1-10-6-11(9-31-25-19(27)24(28)33-26(29)34-25)21(16(7-10)44(40,41)42)32-14-8-15(43(37,38)39)20(30)18-17(14)22(35)12-4-2-3-5-13(12)23(18)36/h2-8,32H,9,30H2,1H3,(H,31,33,34)(H,37,38,39)(H,40,41,42)

smiles:
[Na+].[Na+].Cc1cc(CNc2nc(F)nc(F)c2Cl)c(Nc2cc(c(N)c3c2C(=O)c2c(cccc2)C3=O)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-]


cas: 84100-75-4
chemspiderid: 10144179
dtxsid: DTXSID70232992
formula: C26H18Cl1F2N5O8S2
inchikey: GUVLYNFQTSNHHF-UHFFFAOYSA-L
norman_susdat_id: NS00038415
pubchem_cid: 11970798
name:
Disodium 1-amino-4-((2-(((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)methyl)-4-methyl-5-sulphonatophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1S/C26H18ClF2N5O8S2/c1-10-6-11(9-31-25-20(27)24(28)33-26(29)34-25)14(7-16(10)43(37,38)39)32-15-8-17(44(40,41)42)21(30)19-18(15)22(35)12-4-2-3-5-13(12)23(19)36/h2-8,32H,9,30H2,1H3,(H,31,33,34)(H,37,38,39)(H,40,41,42)

smiles:
[Na+].[Na+].Cc1cc(CNc2nc(F)nc(F)c2Cl)c(Nc2cc(c(N)c3c2C(=O)c2c(cccc2)C3=O)S(=O)(=O)[O-])cc1S(=O)(=O)[O-]


cas: 84100-76-5
dtxsid: DTXSID30232993
formula: C28H25ClN6O10S2
inchikey: LFSOWKOOFMYNOH-UHFFFAOYSA-L
norman_susdat_id: NS00058031
pubchem_cid: 11970800
name:
Disodium 1-amino-4-[[2-[[[4-chloro-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]amino]methyl]-4-methyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C28H25ClN6O10S2.2Na/c1-13-9-14(12-31-27-33-26(29)34-28(35-27)45-8-7-44-2)17(10-19(13)46(38,39)40)32-18-11-20(47(41,42)43)23(30)22-21(18)24(36)15-5-3-4-6-16(15)25(22)37;;/h3-6,9-11,32H,7-8,12,30H2,1-2H3,(H,38,39,40)(H,41,42,43)(H,31,33,34,35);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC=4C=C(C(=CC4CNC=5N=C(Cl)N=C(N5)OCCOC)C)S(=O)(=O)[O-]


cas: 84100-79-8
formula: C39H31N7O11S
inchikey: ROKYKWOGLMYPNK-UHFFFAOYSA-L
norman_susdat_id: NS00058493
pubchem_cid: 91844639
name:
[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 4-[[4,5-dihydro-3-methyl-5-oxo-1-(6-sulfo-2-naphthalenyl)-1H-pyrazol-4-yl]azo]-4'-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-, potassium sodium salt

inchi:
InChI=1/C39H31N7O11S.K.Na/c1-20-34(37(49)46(45-20)26-12-8-23-17-27(58(54,55)56)13-9-22(23)16-26)43-41-30-14-10-24(18-28(30)38(50)51)25-11-15-31(29(19-25)39(52)53)42-44-35(21(2)47)36(48)40-32-6-4-5-7-33(32)57-3;;/h4-19,34-35H,1-3H3,(H,40,48)(H,50,51)(H,52,53)(H,54,55,56);;/q;2*+1/p-2

smiles:
[Na+].[K+].O=C([O-])C=1C=C(C=CC1N=NC(C(=O)NC=2C=CC=CC2OC)C(=O)C)C3=CC=C(N=NC4C(=O)N(N=C4C)C5=CC=C6C=C(C=CC6=C5)S(=O)(=O)O)C(=C3)C(=O)[O-]


name: 4-(Bis(2-hydroxyethyl)amino)-alpha,alpha-bis(4-(dimethylamino)phenyl)-o-xylene-alpha-ol
cas: 84100-81-2
chemspiderid: 21164027
dtxsid: DTXSID90232994
formula: C28H37N3O3
inchikey: BMKWCIQXVJPDKS-UHFFFAOYSA-N
norman_susdat_id: NS00038416
pubchem_cid: 44148068
smiles: CN(C)c1ccc(cc1)C(O)(c1ccc(cc1)N(C)C)c1c(C)cc(cc1)N(CCO)CCO
inchi:
InChI=1S/C28H37N3O3/c1-21-20-26(31(16-18-32)17-19-33)14-15-27(21)28(34,22-6-10-24(11-7-22)29(2)3)23-8-12-25(13-9-23)30(4)5/h6-15,20,32-34H,16-19H2,1-5H3


name: 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium oxalate
cas: 84100-86-7
formula: C23H26N3.C2HO4
inchikey: WWSPSHQBSIBHIY-UHFFFAOYSA-L
norman_susdat_id: NS00089366
inchi:
InChI=1/2C23H26N3.C2H2O4/c2*1-23(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;3-1(4)2(5)6/h2*5-6,8-15H,7,17H2,1-4H3;(H,3,4)(H,5,6)/q2*+1;/p-2

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


cas: 84100-87-8
formula: C32H25Cl2N7O9S2
inchikey: OWANUXJUUZYQHN-UHFFFAOYSA-M
norman_susdat_id: NS00059465
pubchem_cid: 3019698
name:
Ammonium sodium 7-[[[[4-acetamidophenyl]amino]carbonyl]amino]-3-[[4-[(2,4-dichloro-6-sulphonatophenyl)azo]-m-tolyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C32H25Cl2N7O9S2.H3N.Na/c1-16-11-23(8-10-26(16)39-40-29-25(34)14-19(33)15-28(29)52(48,49)50)38-41-30-27(51(45,46)47)13-18-12-22(7-9-24(18)31(30)43)37-32(44)36-21-5-3-20(4-6-21)35-17(2)42;;/h3-15,43H,1-2H3,(H,35,42)(H2,36,37,44)(H,45,46,47)(H,48,49,50);1H3;/q;;+1/p-1

smiles:
[Na+].O=C(NC1=CC=C(C=C1)NC(=O)C)NC=2C=CC=3C(C2)=CC(=C(N=NC4=CC=C(N=NC=5C(Cl)=CC(Cl)=CC5S(=O)(=O)[O-])C(=C4)C)C3O)S(=O)(=O)[O-].[NH4+]


name: 1,4-bis[2-(4-chloro-2-methoxyphenyl)vinyl]benzene
cas: 84100-88-9
formula: C24H20Cl2O2
inchikey: XNCPIXSHYKUKIJ-FIFLTTCUSA-N
norman_susdat_id: NS00058032
pubchem_cid: 6365940
smiles: ClC1=CC=C(C=CC2=CC=C(C=C2)C=CC3=CC=C(Cl)C=C3OC)C(OC)=C1
inchi:
InChI=1/C24H20Cl2O2/c1-27-23-15-21(25)13-11-19(23)9-7-17-3-5-18(6-4-17)8-10-20-12-14-22(26)16-24(20)28-2/h3-16H,1-2H3


name: 1,5-Diamino-2-(3,4-dihydroxyphenyl)-4,8-dihydroxyanthraquinone
cas: 84100-90-3
chemspiderid: 17333660
dtxsid: DTXSID70232997
formula: C20H14N2O6
inchikey: PZFWXFIOPGAEJT-UHFFFAOYSA-N
norman_susdat_id: NS00038418
pubchem_cid: 16205455
smiles: Nc1c2C(=O)c3c(O)cc(c(N)c3C(=O)c2c(O)cc1)c1cc(O)c(O)cc1
inchi:
InChI=1S/C20H14N2O6/c21-9-2-4-11(24)15-14(9)19(27)16-13(26)6-8(18(22)17(16)20(15)28)7-1-3-10(23)12(25)5-7/h1-6,23-26H,21-22H2


name: N-(4-Hydroxyphenyl)-4-((4-hydroxyphenyl)amino)-3-nitrobenzenesulphonamide
cas: 84100-91-4
chemspiderid: 4675525
dtxsid: DTXSID30232998
formula: C18H15N3O6S1
inchikey: BZMNJADAIGWBPM-UHFFFAOYSA-N
norman_susdat_id: NS00038419
pubchem_cid: 5743816
smiles: Oc1ccc(Nc2c(cc(cc2)S(=O)(=O)Nc2ccc(O)cc2)[N+](=O)[O-])cc1
inchi:
InChI=1S/C18H15N3O6S/c22-14-5-1-12(2-6-14)19-17-10-9-16(11-18(17)21(24)25)28(26,27)20-13-3-7-15(23)8-4-13/h1-11,19-20,22-23H


name: 4-((1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)-N-(4-hydroxyphenyl)benzenesulphonamide
cas: 84100-92-5
chemspiderid: 2286804
dtxsid: DTXSID90232999
formula: C26H18N2O7S1
inchikey: XHXIXAJCGSMLIZ-UHFFFAOYSA-N
norman_susdat_id: NS00038420
pubchem_cid: 3019703
smiles: Nc1c(Oc2ccc(cc2)S(=O)(=O)Nc2ccc(O)cc2)cc(O)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C26H18N2O7S/c27-24-21(13-20(30)22-23(24)26(32)19-4-2-1-3-18(19)25(22)31)35-16-9-11-17(12-10-16)36(33,34)28-14-5-7-15(29)8-6-14/h1-13,28-30H,27H2


cas: 84110-48-5
formula: C34H24N4O6S2.C19H41N
inchikey: HWBKSQHSTKJRFU-UHFFFAOYSA-M
norman_susdat_id: NS00089849
name:
Hydrogen 7-phenyl-5,9-bis(phenylamino)-4,10-disulphonatobenzo[a]phenazinium, compound with nonadecan-10-amine (1:1)

inchi:
InChI=1/C34H24N4O6S2.C19H41N/c39-45(40,41)31-18-10-17-25-33(31)28(36-23-13-6-2-7-14-23)20-30-34(25)37-26-21-32(46(42,43)44)27(35-22-11-4-1-5-12-22)19-29(26)38(30)24-15-8-3-9-16-24;1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h1-21H,(H3,35,36,39,40,41,42,43,44);19H,3-18,20H2,1-2H3/p-1

smiles:
CCCCCCCCCC(N)CCCCCCCCC.[O-]S(=O)(=O)c1cccc2c3nc4cc(c(Nc5ccccc5)cc4[n+](c6ccccc6)c3cc(Nc7ccccc7)c12)S(=O)(=O)[O-]


cas: 84110-50-9
formula: C35H27N4O7S2
inchikey: NQNHKNQTJVDSPL-UHFFFAOYSA-M
norman_susdat_id: NS00058527
pubchem_cid: 175346
name:
Hydrogen 9-[(2-methoxyphenyl)amino]-7-phenyl-5-(phenylamino)-4,10-disulphonatobenzo[a]phenazinium, compound with nonadecan-10-amine (1:1)

inchi:
InChI=1/C35H26N4O7S2.C19H41N/c1-46-31-17-9-8-16-25(31)37-27-19-29-26(21-33(27)48(43,44)45)38-35-24-15-10-18-32(47(40,41)42)34(24)28(36-22-11-4-2-5-12-22)20-30(35)39(29)23-13-6-3-7-14-23;1-3-5-7-9-11-13-15-17-19(20)18-16-14-12-10-8-6-4-2/h2-21H,1H3,(H3,36,37,40,41,42,43,44,45);19H,3-18,20H2,1-2H3/p-1

smiles:
O=S(=O)([O-])C1=CC=CC=2C3=NC=4C=C(C(=CC4[N+](C=5C=CC=CC5)=C3C=C(NC=6C=CC=CC6)C21)NC=7C=CC=CC7OC)S(=O)(=O)[O-].NC(CCCCCCCCC)CCCCCCCCC


name: (5a)-7,8-didehydro-4,5-epoxy-3,14-dihydroxymorphinan-6-one
cas: 84116-46-1
dtxsid: DTXSID10892372
formula: C16H15NO4
inchikey: WJZVCRUPHQAKSZ-IPOQPSJVSA-N
norman_susdat_id: NS00058484
pubchem_cid: 15605738
smiles: O=C1C=CC2(O)C3NCCC42C5=C(OC14)C(O)=CC=C5C3
inchi:
InChI=1/C16H15NO4/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14/h1-4,11,14,17-18,20H,5-7H2


name: Enobosarm
cas: 841205-47-8
chemspiderid: 9501667
dtxsid: DTXSID30233006
formula: C19H14F3N3O3
inchikey: JNGVJMBLXIUVRD-SFHVURJKSA-N
norman_susdat_id: NS00040636
pubchem_cid: 11326715
smiles: C[C@](O)(COC1=CC=C(C=C1)C#N)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F
inchi:
InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1


name: 12,13-didehydro-12,24-secostrychnidin-10-one monohydrochloride
cas: 84129-84-0
formula: C21H22N2O2
inchikey: HRVDQRLZRUMQBE-LDGLRJDBSA-N
norman_susdat_id: NS00059507
pubchem_cid: 91844649
smiles: Cl.O=C1N2C=3C=CC=CC3C45CCN6CC(=CCO)C(C(=CC1)C24)CC65
inchi:
InChI=1/C21H22N2O2.ClH/c24-10-7-13-12-22-9-8-21-16-3-1-2-4-17(16)23-19(25)6-5-14(20(21)23)15(13)11-18(21)22;/h1-5,7,15,18,20,24H,6,8-12H2;1H


cas: 841290-80-0
chebiid: CHEBI:91348
dtxsid: DTXSID30458939
formula: C22H23FN6O5
inchikey: NHHQJBCNYHBUSI-UHFFFAOYSA-N
norman_susdat_id: NS00070355
pubchem_cid: 11213558
smiles: COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC
name:
6-{[5-Fluoro-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino}-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

inchi:
InChI=1S/C22H23FN6O5/c1-22(2)20(30)28-19-13(34-22)6-7-16(27-19)26-18-12(23)10-24-21(29-18)25-11-8-14(31-3)17(33-5)15(9-11)32-4/h6-10H,1-5H3,(H3,24,25,26,27,28,29,30)


cas: 841301-32-4
formula: C24H26N4O5S
inchikey: MNHNIVNAFBSLLX-UHFFFAOYSA-N
norman_susdat_id: NS00072161
pubchem_cid: 11397521
smiles: Cc1cccc(C)c1N(CC(=O)Nc1ccc(-c2ncon2)cc1)C(=O)C1CCS(=O)(=O)CC1
name:
2-[n-(2,6-dimethylphenyl)-1-(1,1-dioxo-1??-thian-4-yl)formamido]-n-[4-(1,2,4-oxadiazol-3-yl)phenyl]acetamide

inchi:
InChI=1S/C24H26N4O5S/c1-16-4-3-5-17(2)22(16)28(24(30)19-10-12-34(31,32)13-11-19)14-21(29)26-20-8-6-18(7-9-20)23-25-15-33-27-23/h3-9,15,19H,10-14H2,1-2H3,(H,26,29)


name: Sodium 2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-carboxylate
cas: 84145-00-6
formula: C13H8F2O3.Na
inchikey: TWNIMRJXRIWUKA-UHFFFAOYSA-M
norman_susdat_id: NS00089215
smiles: [Na+].Oc1ccc(cc1C(=O)[O-])c2ccc(F)cc2F
inchi:
InChI=1/C13H8F2O3.Na/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18;/h1-6,16H,(H,17,18);/q;+1/p-1


name: Bis(2-amino-1,7-dihydro-8H-adenin-8-one) sulphate
cas: 84145-02-8
formula: C5H6N6O.1/2H2O4S
inchikey: UKAWXNPCBSSKHZ-UHFFFAOYSA-N
norman_susdat_id: NS00089856
smiles: NC1=NC2=NC(=O)NC2=C(N)N1.NC3=NC4=NC(=O)NC4=C(N)N3.OS(=O)(=O)O
inchi:
InChI=1/2C5H6N6O.H2O4S/c2*6-2-1-3(10-4(7)9-2)11-5(12)8-1;1-5(2,3)4/h2*(H6,6,7,8,9,10,11,12);(H2,1,2,3,4)


cas: 84145-05-1
formula: C8H23N5.xC2H7NO.xH3O4P
inchikey: JIIXHIBMGHZTJV-UHFFFAOYSA-N
norman_susdat_id: NS00089398
smiles: NCCNCCNCCNCCN.[NH3+]CCO.[NH3+]CCO.[NH3+]CCO.[O-]P(=O)([O-])[O-]
name:
(2-hydroxyethyl)ammonium phosphate, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethylenediamine

inchi:
InChI=1/C8H23N5.3C2H7NO.H3O4P/c9-1-3-11-5-7-13-8-6-12-4-2-10;3*3-1-2-4;1-5(2,3)4/h11-13H,1-10H2;3*4H,1-3H2;(H3,1,2,3,4)


name: Oleic acid, compound with hexadecylamine (1:1)
cas: 84145-07-3
formula: C18H34O2.C16H35N
inchikey: XUNJSXOANRPPFA-KVVVOXFISA-N
norman_susdat_id: NS00089217
smiles: CCCCCCCCCCCCCCCCN.CCCCCCCC\C=C/CCCCCCCC(=O)O
inchi:
InChI=1/C18H34O2.C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-17H2,1H3


cas: 84145-09-5
formula: C8H23N5.xC6H8O7
inchikey: IBLGZCWDFAZBCR-UHFFFAOYSA-N
norman_susdat_id: NS00089218
smiles: NCCNCCNCCNCCN.OC(=O)CC(O)(CC(=O)O)C(=O)O
name:
N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethylenediamine 2-hydroxypropane-1,2,3-tricarboxylate

inchi:
InChI=1/C8H23N5.C6H8O7/c9-1-3-11-5-7-13-8-6-12-4-2-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h11-13H,1-10H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: 2-[(trimethylstannyl)thio]ethyl stearate
cas: 84145-12-0
dtxsid: DTXSID30233041
formula: C23H48O2SSn
inchikey: MAWNXWUAUSLJAI-UHFFFAOYSA-M
norman_susdat_id: NS00059550
pubchem_cid: 3019707
smiles: O=C(OCCS[Sn](C)(C)C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C20H40O2S.3CH3.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23;;;;/h23H,2-19H2,1H3;3*1H3;/q;;;;+1/p-1/rC23H48O2SSn/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(24)25-21-22-26-27(2,3)4/h5-22H2,1-4H3


name: Ethylene bis((dodecylthio)acetate)
cas: 84145-13-1
chemspiderid: 21164042
dtxsid: DTXSID90233042
formula: C30H58O4S2
inchikey: ITOVYIDFTXLTHV-UHFFFAOYSA-N
norman_susdat_id: NS00038423
pubchem_cid: 44153560
smiles: CCCCCCCCCCCCSCC(=O)OCCOC(=O)CSCCCCCCCCCCCC
inchi:
InChI=1S/C30H58O4S2/c1-3-5-7-9-11-13-15-17-19-21-25-35-27-29(31)33-23-24-34-30(32)28-36-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3


name: 2-((((Dodecylthio)acetyl)oxy)methyl)-2-ethyl-1,3-propanediyl bis((dodecylthio)acetate)
cas: 84145-14-2
chemspiderid: 21164043
dtxsid: DTXSID50233043
formula: C48H92O6S3
inchikey: IWTDFMOKKXHPON-UHFFFAOYSA-N
norman_susdat_id: NS00038424
pubchem_cid: 44144747
smiles: CCCCCCCCCCCCSCC(=O)OCC(CC)(COC(=O)CSCCCCCCCCCCCC)COC(=O)CSCCCCCCCCCCCC
inchi:
InChI=1S/C48H92O6S3/c1-5-9-12-15-18-21-24-27-30-33-36-55-39-45(49)52-42-48(8-4,43-53-46(50)40-56-37-34-31-28-25-22-19-16-13-10-6-2)44-54-47(51)41-57-38-35-32-29-26-23-20-17-14-11-7-3/h5-44H2,1-4H3


name: Ethylene bis((decylthio)acetate)
cas: 84145-15-3
chemspiderid: 21164044
dtxsid: DTXSID10233044
formula: C26H50O4S2
inchikey: JLVULRDKZPCTOP-UHFFFAOYSA-N
norman_susdat_id: NS00038425
pubchem_cid: 44151459
smiles: CCCCCCCCCCSCC(=O)OCCOC(=O)CSCCCCCCCCCC
inchi:
InChI=1S/C26H50O4S2/c1-3-5-7-9-11-13-15-17-21-31-23-25(27)29-19-20-30-26(28)24-32-22-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3


name: 2-((((Decylthio)acetyl)oxy)methyl)-2-ethyl-1,3-propanediyl bis((decylthio)acetate)
cas: 84145-16-4
chemspiderid: 21164045
dtxsid: DTXSID70233045
formula: C42H80O6S3
inchikey: WUAYEQCHCBAXFU-UHFFFAOYSA-N
norman_susdat_id: NS00038426
pubchem_cid: 44144926
smiles: CCCCCCCCCCSCC(=O)OCC(CC)(COC(=O)CSCCCCCCCCCC)COC(=O)CSCCCCCCCCCC
inchi:
InChI=1S/C42H80O6S3/c1-5-9-12-15-18-21-24-27-30-49-33-39(43)46-36-42(8-4,37-47-40(44)34-50-31-28-25-22-19-16-13-10-6-2)38-48-41(45)35-51-32-29-26-23-20-17-14-11-7-3/h5-38H2,1-4H3


name: Methyl 4-cyano-3-methyl-4-(phenylamino)piperidine-1-carboxylate
cas: 84145-24-4
dtxsid: DTXSID301004410
formula: C15H19N3O2
inchikey: AOEIBPYCEZZLSX-UHFFFAOYSA-N
norman_susdat_id: NS00058586
pubchem_cid: 3019712
smiles: N#CC1(NC=2C=CC=CC2)CCN(C(=O)OC)CC1C
inchi:
InChI=1/C15H19N3O2/c1-12-10-18(14(19)20-2)9-8-15(12,11-16)17-13-6-4-3-5-7-13/h3-7,12,17H,8-10H2,1-2H3


cas: 84145-27-7
chemspiderid: 10144183
dtxsid: DTXSID00233053
formula: C15H16Cl2N2O5S1
inchikey: AOZVYCWQGCZSPV-SBKWZQTDSA-N
norman_susdat_id: NS00038432
pubchem_cid: 44146365
smiles: [Cl-].CS(=O)(=O)OCC1COC(Cn2ccnc2)(O1)c1c(Cl)cc(Cl)cc1.[H+]
name:
cis-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-ylmethyl methanesulphonate monohydrochloride

inchi:
InChI=1S/C15H16Cl2N2O5S/c1-25(20,21)23-8-12-7-22-15(24-12,9-19-5-4-18-10-19)13-3-2-11(16)6-14(13)17/h2-6,10,12H,7-9H2,1H3/t12-,15+/m0/s1


name: Sebacic acid, compound with 2,2'-iminodiethanol
cas: 84145-30-2
formula: C10H18O4.xC4H11NO2
inchikey: MXBMZMIQYRQONB-UHFFFAOYSA-N
norman_susdat_id: NS00089595
smiles: OCCNCCO.OC(=O)CCCCCCCCC(=O)O
inchi:
InChI=1/C10H18O4.C4H11NO2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;6-3-1-5-2-4-7/h1-8H2,(H,11,12)(H,13,14);5-7H,1-4H2


name: 2,5-bis[(1,3-dioxobutyl)phenylamino]terephthalic acid
cas: 84145-39-1
dtxsid: DTXSID20233055
formula: C28H24N2O8
inchikey: QYFDPGMAQSATNL-UHFFFAOYSA-N
norman_susdat_id: NS00059954
pubchem_cid: 21149599
smiles: O=C(O)C=1C=C(C(=CC1N(C(=O)CC(=O)C)C=2C=CC=CC2)C(=O)O)N(C(=O)CC(=O)C)C=3C=CC=CC3
inchi:
InChI=1/C28H24N2O8/c1-17(31)13-25(33)29(19-9-5-3-6-10-19)23-15-22(28(37)38)24(16-21(23)27(35)36)30(26(34)14-18(2)32)20-11-7-4-8-12-20/h3-12,15-16H,13-14H2,1-2H3,(H,35,36)(H,37,38)


name: 4,8,12,15,19,23-hexaazahexacosane-1,26-diamine
cas: 84145-44-8
dtxsid: DTXSID40233057
formula: C20H50N8
inchikey: BQLHDWPBRFNLIF-UHFFFAOYSA-N
norman_susdat_id: NS00059955
pubchem_cid: 44150315
smiles: NCCCNCCCNCCCNCCNCCCNCCCNCCCN
inchi:
InChI=1/C20H50N8/c21-7-1-9-23-11-3-13-25-15-5-17-27-19-20-28-18-6-16-26-14-4-12-24-10-2-8-22/h23-28H,1-22H2


name: N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[ethyl(2-phenoxyethyl)amino]-4-methoxyphenyl]acetamide
cas: 84145-45-9
formula: C25H27BrN6O7
inchikey: JBPPICPDUHMIPQ-UHFFFAOYSA-N
norman_susdat_id: NS00059029
pubchem_cid: 3019719
smiles: O=C(NC=1C=C(C(OC)=CC1N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CC)CCOC=3C=CC=CC3)C
inchi:
InChI=1/C25H25BrN6O7/c1-4-30(10-11-39-18-8-6-5-7-9-18)22-14-20(27-16(2)33)21(15-24(22)38-3)28-29-25-19(26)12-17(31(34)35)13-23(25)32(36)37/h5-9,12-15H,4,10-11H2,1-3H3,(H,27,33)


cas: 84145-46-0
formula: C26H23N5O14S3.2Na
inchikey: HHOMIDGEOXUFNT-UHFFFAOYSA-L
norman_susdat_id: NS00089392
name:
Disodium hydrogen 4,5-dihydro-4-[[4-[[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]carbonyl]phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C26H23N5O14S3.2Na.H2/c1-44-21-11-10-19(46(36,37)13-12-45-48(41,42)43)14-20(21)27-24(32)15-2-4-16(5-3-15)28-29-22-23(26(34)35)30-31(25(22)33)17-6-8-18(9-7-17)47(38,39)40;;;/h2-11,14,22H,12-13H2,1H3,(H,27,32)(H,34,35)(H,38,39,40)(H,41,42,43);;;1H/q;3*+1/p-3

smiles:
[H+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c4cc(NC(=O)c1ccc(cc1)N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O)c(OC)cc4


name: Dodecyl dihydrogen phosphate, compound with N,N-dimethylcyclohexylamine (1:2)
cas: 84145-47-1
formula: C12H27O4P.2C8H17N
inchikey: XUBMAMVACBOCNU-UHFFFAOYSA-N
norman_susdat_id: NS00089393
smiles: CCCCCCCCCCCCOP(=O)(O)O.CN(C)C1CCCCC1.CN(C)C2CCCCC2
inchi:
InChI=1/C12H27O4P.2C8H17N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;2*1-9(2)8-6-4-3-5-7-8/h2-12H2,1H3,(H2,13,14,15);2*8H,3-7H2,1-2H3


name: Methyl 2-[[2-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-butenylidene]amino]benzoate
cas: 84145-53-9
formula: C22H29NO2
inchikey: VDNUEGIWGWSOCU-UHFFFAOYSA-N
norman_susdat_id: NS00059023
pubchem_cid: 3019723
smiles: O=C(OC)C=1C=CC=CC1N=CC(C=CC2C(=CCCC2(C)C)C)C
inchi:
InChI=1/C22H29NO2/c1-16(12-13-19-17(2)9-8-14-22(19,3)4)15-23-20-11-7-6-10-18(20)21(24)25-5/h6-7,9-13,15-16,19H,8,14H2,1-5H3


name: Lauric acid, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethylenediamine
cas: 84145-58-4
formula: C12H24O2.xC8H23N5
inchikey: JPHLYENPWNFPLI-UHFFFAOYSA-N
norman_susdat_id: NS00089394
smiles: CCCCCCCCCCCC(=O)O.NCCNCCNCCNCCN
inchi:
InChI=1/C12H24O2.C8H23N5/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;9-1-3-11-5-7-13-8-6-12-4-2-10/h2-11H2,1H3,(H,13,14);11-13H,1-10H2


name: Dodecanedioic acid, compound with 2-aminoethanol
cas: 84145-60-8
formula: C12H22O4.xC2H7NO
inchikey: QPTBLKXIIYJZBP-UHFFFAOYSA-N
norman_susdat_id: NS00090075
smiles: NCCO.OC(=O)CCCCCCCCCCC(=O)O
inchi:
InChI=1/C12H22O4.C2H7NO/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;3-1-2-4/h1-10H2,(H,13,14)(H,15,16);4H,1-3H2


name: Dodecanedioic acid, sodium salt, compound with 2-aminoethanol
cas: 84145-61-9
formula: C12H22O4.xC2H7NO.xNa
inchikey: KSULGMKMDISXAG-UHFFFAOYSA-M
norman_susdat_id: NS00089599
smiles: [Na+].NCCO.OC(=O)CCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C12H22O4.C2H7NO.Na/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;3-1-2-4;/h1-10H2,(H,13,14)(H,15,16);4H,1-3H2;/q;;+1/p-1


name: Sodium 5-amino-6-ethoxynaphthalene-2-sulphonate
cas: 84145-62-0
formula: C12H13NO4S.Na
inchikey: JDSIKRXXRVRPJF-UHFFFAOYSA-M
norman_susdat_id: NS00090076
smiles: [Na+].CCOc1ccc2cc(ccc2c1N)S(=O)(=O)[O-]
inchi:
InChI=1/C12H13NO4S.Na/c1-2-17-11-6-3-8-7-9(18(14,15)16)4-5-10(8)12(11)13;/h3-7H,2,13H2,1H3,(H,14,15,16);/q;+1/p-1


name: Disodium 3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-8-hydroxynaphthalene-1,5-disulphonate
cas: 84145-63-1
chemspiderid: 10144185
dtxsid: DTXSID30233066
formula: C14H8Cl1F2N3O7S2
inchikey: YXOLLIPXYBOHPC-UHFFFAOYSA-L
norman_susdat_id: NS00038438
pubchem_cid: 102058744
smiles: [Na+].[Na+].Oc1ccc(c2c1c(cc(Nc1nc(F)nc(F)c1Cl)c2)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1S/C14H8ClF2N3O7S2/c15-11-12(16)19-14(17)20-13(11)18-5-3-6-8(28(22,23)24)2-1-7(21)10(6)9(4-5)29(25,26)27/h1-4,21H,(H,18,19,20)(H,22,23,24)(H,25,26,27)


name: Disodium 3-hydroxy-5-sulphonato-2-naphthoate
cas: 84145-65-3
formula: C11H8O6S.2Na
inchikey: BTJIGRWQKPAMPR-UHFFFAOYSA-L
norman_susdat_id: NS00089369
smiles: [Na+].[Na+].Oc1cc2c(cccc2cc1C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C11H8O6S.2Na/c12-9-5-7-6(4-8(9)11(13)14)2-1-3-10(7)18(15,16)17;;/h1-5,12H,(H,13,14)(H,15,16,17);;/q;2*+1/p-2


name: 2-methyl-N-octadecyl-N-(tetrahydro-2,5-dioxo-3-furyl)propionamide
cas: 84145-66-4
dtxsid: DTXSID801004415
formula: C26H47NO4
inchikey: OHUPFRGAUGZKCY-UHFFFAOYSA-N
norman_susdat_id: NS00058000
pubchem_cid: 3019729
smiles: O=C1OC(=O)C(N(C(=O)C(C)C)CCCCCCCCCCCCCCCCCC)C1
inchi:
InChI=1/C26H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(25(29)22(2)3)23-21-24(28)31-26(23)30/h22-23H,4-21H2,1-3H3


cas: 84145-67-5
dtxsid: DTXSID50233068
formula: C16H14ClN3O9S3
inchikey: MGGAPASMMHGARS-UHFFFAOYSA-L
norman_susdat_id: NS00059438
pubchem_cid: NA
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=C(O)C=2C(=CC=C(C2C1)S(=O)(=O)[O-])NC=3N=C(N=C(C3Cl)C)S(=O)(=O)C
name:
Disodium 4-[[5-chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl]amino]-5-hydroxynaphthalene-1,7-disulphonate

inchi:
InChI=1/C16H14ClN3O9S3.2Na/c1-7-14(17)15(20-16(18-7)30(2,22)23)19-10-3-4-12(32(27,28)29)9-5-8(31(24,25)26)6-11(21)13(9)10;;/h3-6,21H,1-2H3,(H,18,19,20)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


cas: 84145-74-4
chemspiderid: 21164056
dtxsid: DTXSID60233074
formula: C30H36O19
inchikey: APVLIPANISQUKE-YYWMDQEHSA-N
norman_susdat_id: NS00038441
pubchem_cid: 44154051
smiles: CC1OC(OCC2OC(Oc3c(oc4cc(OCO)cc(O)c4c3=O)c3cc(OCO)c(OCO)cc3)C(O)C(O)C2O)C(O)C(O)C1O
name:
2-(3,4-Bis(hydroxymethoxy)phenyl)-3-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-7-(hydroxymethoxy)-4H-1-benzopyran-4-one

inchi:
InChI=1S/C30H36O19/c1-11-20(35)23(38)25(40)29(46-11)42-7-18-21(36)24(39)26(41)30(48-18)49-28-22(37)19-14(34)5-13(43-8-31)6-17(19)47-27(28)12-2-3-15(44-9-32)16(4-12)45-10-33/h2-6,11,18,20-21,23-26,29-36,38-41H,7-10H2,1H3/t11-,18+,20-,21-,23-,24-,25-,26-,29-,30-/m1/s1


name: 3,7-diaminophenothiazin-5-ium tetraphenylborate
cas: 84145-75-5
formula: C24H20B.C12H10N3S
inchikey: CWGKLLDLMAMYMK-UHFFFAOYSA-N
norman_susdat_id: NS00089810
smiles: Nc1ccc2nc3ccc(N)cc3[s+]c2c1.c4ccc(cc4)[B-](c5ccccc5)(c6ccccc6)c7ccccc7
inchi:
InChI=1/C24H20B.C12H10N3S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-20H;1-6H,13-14H2/q-1;+1


name: 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium sulphate (2:1)
cas: 84145-76-6
formula: C15H16N3S.1/2O4S
inchikey: GNTPTOBWYVATQD-UHFFFAOYSA-L
norman_susdat_id: NS00089370
smiles: CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.CNc4ccc5nc6ccc(cc6[s+]c5c4)N(C)C.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/2C15H16N3S.H2O4S/c2*1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12;1-5(2,3)4/h2*4-9,16H,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2


name: 3,7-diaminophenothiazin-5-ium tetrafluoroborate
cas: 84145-78-8
formula: C12H10N3S.BF4
inchikey: QUSODGRLBZNJAY-UHFFFAOYSA-N
norman_susdat_id: NS00089163
smiles: Nc1ccc2nc3ccc(N)cc3[s+]c2c1.F[B-](F)(F)F
inchi:
InChI=1/C12H10N3S.BF4/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;2-1(3,4)5/h1-6H,13-14H2;/q+1;-1


name: 7-amino-3-(ethylamino)-2-methylphenoxazin-5-ium nitrate
cas: 84145-80-2
formula: C15H16N3O.NO3
inchikey: JHDQRXPGWRFOBW-UHFFFAOYSA-N
norman_susdat_id: NS00089811
smiles: CCNc1cc2[o+]c3cc(N)ccc3nc2cc1C.[O-][N+](=O)[O-]
inchi:
InChI=1/C15H16N3O.NO3/c1-3-17-12-8-15-13(6-9(12)2)18-11-5-4-10(16)7-14(11)19-15;2-1(3)4/h4-8,17H,3,16H2,1-2H3;/q+1;-1


name: 3-(dimethylamino)-7-(methylamino)phenothiazin-5-ium tetraphenylborate
cas: 84145-81-3
formula: C24H20B.C15H16N3S
inchikey: UKVJZPVOQCCIDP-UHFFFAOYSA-N
norman_susdat_id: NS00089371
smiles: CNc1ccc2nc3ccc(cc3[s+]c2c1)N(C)C.c4ccc(cc4)[B-](c5ccccc5)(c6ccccc6)c7ccccc7
inchi:
InChI=1/C24H20B.C15H16N3S/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-16-10-4-6-12-14(8-10)19-15-9-11(18(2)3)5-7-13(15)17-12/h1-20H;4-9,16H,1-3H3/q-1;+1


name: 7-amino-3-(ethylamino)-2-methylphenoxazin-5-ium perchlorate
cas: 84145-83-5
formula: C15H16N3O
inchikey: KDNDZQNSEQWVRR-UHFFFAOYSA-M
norman_susdat_id: NS00058003
pubchem_cid: NA
smiles: O=Cl(=O)(=O)[O-].N1=C2C=CC(N)=CC2=[O+]C3=CC(NCC)=C(C=C13)C
inchi:
InChI=1/C15H16N3O.ClHO4/c1-3-17-12-8-15-13(6-9(12)2)18-11-5-4-10(16)7-14(11)19-15;2-1(3,4)5/h4-8,17H,3,16H2,1-2H3;(H,2,3,4,5)/q+1;/p-1


name: Cibacron blue
cas: 84166-13-2
dtxsid: DTXSID70233085
formula: C29H20ClN7O11S3
inchikey: YKCWQPZFAFZLBI-UHFFFAOYSA-N
norman_susdat_id: NS00073004
pubchem_cid: 172469
smiles: Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(=O)(=O)O)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O
inchi:
InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)


cas: 84166-37-0
dtxsid: DTXSID60896648
formula: C20H20F23IN2O4
inchikey: CMECKCJZKNMJHB-UHFFFAOYSA-N
norman_susdat_id: NS00111147
name:
N,N-Diethyl-1,1,1,2,2,3,3,5,6,6,8,9,9,11-tetradecafluoro-N-methyl-12-oxo-5,8,11-tris(trifluoromethyl)-4,7,10-trioxa-13-azahexadecan-16-aminium iodide

inchi:
InChI=1/C20H19F23N2O4.HI/c1-4-45(3,5-2)8-6-7-44-9(46)10(21,14(26,27)28)47-19(40,41)12(24,16(32,33)34)49-20(42,43)13(25,17(35,36)37)48-18(38,39)11(22,23)15(29,30)31;/h4-8H2,1-3H3;1H

smiles:
[I-].CC[N+](C)(CC)CCCNC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F


cas: 84166-98-3
formula: C36H55N5O3
inchikey: HUCHNQLVTSFNRG-UHFFFAOYSA-N
norman_susdat_id: NS00058004
pubchem_cid: NA
smiles: N#CC=1C(=O)N(C(O)=C(N=NC2=CC=C(C=C2)C(=O)N(CC(CC)CCCC)CC(CC)CCCC)C1C)CCCCCC
name:
4-[(5-cyano-1-hexyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo]-N,N-bis(2-ethylhexyl)benzamide

inchi:
InChI=1/C36H55N5O3/c1-7-12-15-16-23-41-35(43)32(24-37)27(6)33(36(41)44)39-38-31-21-19-30(20-22-31)34(42)40(25-28(10-4)17-13-8-2)26-29(11-5)18-14-9-3/h19-22,28-29,44H,7-18,23,25-26H2,1-6H3


name: Dodecanedioic acid, compound with 2,2'-iminodiethanol
cas: 84176-56-7
formula: C12H22O4.xC4H11NO2
inchikey: LQHWBFXCTYIQHB-UHFFFAOYSA-N
norman_susdat_id: NS00089349
smiles: OCCNCCO.OC(=O)CCCCCCCCCCC(=O)O
inchi:
InChI=1/C12H22O4.C4H11NO2/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;6-3-1-5-2-4-7/h1-10H2,(H,13,14)(H,15,16);5-7H,1-4H2


name: Sodium 9-(hydroxyphenyl)nonanesulphonate
cas: 84176-61-4
dtxsid: DTXSID901004432
formula: C15H24O4S
inchikey: AZPBWQKIWDFCAN-UHFFFAOYSA-M
norman_susdat_id: NS00058398
pubchem_cid: 3019739
smiles: [Na+].O=S(=O)([O-])CCCCCCCCCC=1C=CC=CC1O
inchi:
InChI=1/C15H24O4S.Na/c16-15-12-8-7-11-14(15)10-6-4-2-1-3-5-9-13-20(17,18)19;/h7-8,11-12,16H,1-6,9-10,13H2,(H,17,18,19);/q;+1/p-1


name: 4-methylpyridinium decyl sulphate
cas: 84176-63-6
formula: C12H26O4S.C6H7N
inchikey: WCQCSIZGSOLROM-UHFFFAOYSA-N
norman_susdat_id: NS00089165
smiles: CCCCCCCCCCOS(=O)(=O)[O-].Cc1cc[nH+]cc1
inchi:
InChI=1/C10H22O4S.C6H7N/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;1-6-2-4-7-5-3-6/h2-10H2,1H3,(H,11,12,13);2-5H,1H3


name: 6,7-diisopropylpteridine-2,4-diamine phosphate
cas: 84176-65-8
dtxsid: DTXSID40233092
formula: C12H18N6
inchikey: YNQBQYASRYRNRY-UHFFFAOYSA-N
norman_susdat_id: NS00058443
pubchem_cid: 264001
smiles: O=P(O)(O)O.N=1C(=NC(N)=C2N=C(C(=NC12)C(C)C)C(C)C)N
inchi:
InChI=1/C12H18N6.H3O4P/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11;1-5(2,3)4/h5-6H,1-4H3,(H4,13,14,16,17,18);(H3,1,2,3,4)


name: 2-Fluoro-4-pentylphenyl 4'-heptyl(1,1'-biphenyl)-4-carboxylate
cas: 84176-66-9
chemspiderid: 13580852
dtxsid: DTXSID00233093
formula: C31H37F1O2
inchikey: WXBFYDUGSIDWBY-UHFFFAOYSA-N
norman_susdat_id: NS00038445
pubchem_cid: 21185438
smiles: CCCCCCCc1ccc(cc1)c1ccc(cc1)C(=O)Oc1c(F)cc(CCCCC)cc1
inchi:
InChI=1S/C31H37FO2/c1-3-5-7-8-10-11-24-13-16-26(17-14-24)27-18-20-28(21-19-27)31(33)34-30-22-15-25(23-29(30)32)12-9-6-4-2/h13-23H,3-12H2,1-2H3


name: Ethyl 4-[2-(diethylamino)ethoxy]-4-phenylpiperidine-1-carboxylate
cas: 84176-71-6
dtxsid: DTXSID001004435
formula: C20H32N2O3
inchikey: LEJNAECTTDCOPF-UHFFFAOYSA-N
norman_susdat_id: NS00059483
pubchem_cid: 3019742
smiles: O=C(OCC)N1CCC(OCCN(CC)CC)(C=2C=CC=CC2)CC1
inchi:
InChI=1/C20H32N2O3/c1-4-21(5-2)16-17-25-20(18-10-8-7-9-11-18)12-14-22(15-13-20)19(23)24-6-3/h7-11H,4-6,12-17H2,1-3H3


name: Ethyl 4,4-dimethoxy-3-(phenylmethoxy)piperidine-1-carboxylate
cas: 84176-72-7
dtxsid: DTXSID701004436
formula: C17H25NO5
inchikey: GBEMWQAUUZLZOG-UHFFFAOYSA-N
norman_susdat_id: NS00058425
pubchem_cid: 3019743
smiles: O=C(OCC)N1CCC(OC)(OC)C(OCC=2C=CC=CC2)C1
inchi:
InChI=1/C17H25NO5/c1-4-22-16(19)18-11-10-17(20-2,21-3)15(12-18)23-13-14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3


name: 4-(4-Chlorophenyl)-N,N-dimethyl-1-(p-tolylsulphonyl)piperidine-4-carboxamide
cas: 84176-73-8
chemspiderid: 2286837
dtxsid: DTXSID80233096
formula: C21H25Cl1N2O3S1
inchikey: IKVLHXOAZPIFCJ-UHFFFAOYSA-N
norman_susdat_id: NS00038448
pubchem_cid: 3019744
smiles: CN(C)C(=O)C1(CCN(CC1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
inchi:
InChI=1S/C21H25ClN2O3S/c1-16-4-10-19(11-5-16)28(26,27)24-14-12-21(13-15-24,20(25)23(2)3)17-6-8-18(22)9-7-17/h4-11H,12-15H2,1-3H3


name: cis-4-anilino-3-methyl-1-phenethylpiperidine-4-carboxylic acid
cas: 84176-74-9
dtxsid: DTXSID401004437
formula: C21H26N2O2
inchikey: NBELPOLJOOQHKE-LAUBAEHRSA-N
norman_susdat_id: NS00058426
pubchem_cid: 12298192
smiles: O=C(O)C1(NC=2C=CC=CC2)CCN(CCC=3C=CC=CC3)CC1C
inchi:
InChI=1/C21H26N2O2/c1-17-16-23(14-12-18-8-4-2-5-9-18)15-13-21(17,20(24)25)22-19-10-6-3-7-11-19/h2-11,17,22H,12-16H2,1H3,(H,24,25)


name: 1-(1-(Phenylmethyl)-4-piperidinyl)-1H-benzimidazole
cas: 84176-75-0
chemspiderid: 2286839
dtxsid: DTXSID40233097
formula: C19H21N3
inchikey: KYMRBSIZQUQJLF-UHFFFAOYSA-N
norman_susdat_id: NS00038449
pubchem_cid: 3019746
smiles: C(N1CCC(CC1)n1cnc2c1cccc2)c1ccccc1
inchi:
InChI=1S/C19H21N3/c1-2-6-16(7-3-1)14-21-12-10-17(11-13-21)22-15-20-18-8-4-5-9-19(18)22/h1-9,15,17H,10-14H2


name: 1-Benzyl-4-phenylpiperidine-4-carboxamide
cas: 84176-76-1
chemspiderid: 87044
dtxsid: DTXSID00233098
formula: C19H22N2O1
inchikey: LTUVVZKXVNALKM-UHFFFAOYSA-N
norman_susdat_id: NS00038450
pubchem_cid: 96423
smiles: NC(=O)C1(CCN(Cc2ccccc2)CC1)c1ccccc1
inchi:
InChI=1S/C19H22N2O/c20-18(22)19(17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H2,20,22)


name: 1-Benzyl-4-phenylpiperidine-4-methylamine
cas: 84176-77-2
chemspiderid: 239028
dtxsid: DTXSID60233099
formula: C19H24N2
inchikey: KNLXJOKXXMNECJ-UHFFFAOYSA-N
norman_susdat_id: NS00038451
pubchem_cid: 804238
smiles: C(NCC1(CCNCC1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C19H24N2/c1-3-7-17(8-4-1)15-21-16-19(11-13-20-14-12-19)18-9-5-2-6-10-18/h1-10,20-21H,11-16H2


cas: 84176-81-8
formula: C28H24N8O7S2
inchikey: JXMZWPARKFMUJU-UHFFFAOYSA-L
norman_susdat_id: NS00058494
pubchem_cid: 44151656
name:
Disodium 4-[(2,4-diaminophenyl)azo]-4'-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo][1,1'-biphenyl]-2,2'-disulphonate

inchi:
InChI=1/C28H24N8O7S2.2Na/c1-16-27(28(37)36(35-16)20-5-3-2-4-6-20)34-32-19-9-11-22(26(15-19)45(41,42)43)21-10-8-18(14-25(21)44(38,39)40)31-33-24-12-7-17(29)13-23(24)30;;/h2-15,27H,29-30H2,1H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC=C(C=3C=CC(N=NC4=CC=C(N)C=C4N)=CC3S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-])C=5C=CC=CC5


name: N-(4-(Acetylamino)-2-chloro-5-methoxyphenyl)-3-oxobutyramide
cas: 84176-82-9
chemspiderid: 2286840
dtxsid: DTXSID10233100
formula: C13H15Cl1N2O4
inchikey: AEHKSCQHBUCHTF-UHFFFAOYSA-N
norman_susdat_id: NS00038452
pubchem_cid: 3019748
smiles: COc1cc(NC(=O)CC(=O)C)c(Cl)cc1NC(=O)C
inchi:
InChI=1S/C13H15ClN2O4/c1-7(17)4-13(19)16-10-6-12(20-3)11(5-9(10)14)15-8(2)18/h5-6H,4H2,1-3H3,(H,15,18)(H,16,19)


cas: 84184-25-8
dtxsid: DTXSID501004442
formula: C43H61ClN4O6
inchikey: YXMNDOWIJULDOX-UHFFFAOYSA-N
norman_susdat_id: NS00058495
pubchem_cid: 14047690
smiles: O=C(OCCCCCC)C1=NC=CN1C(C(=O)NC2=CC(=CC=C2Cl)NC(=O)CCCOC3=CC=C(C=C3C(C)(C)CC)C(C)(C)CC)C(=O)C(C)(C)C
name:
Hexyl 1-[1-[[[5-[[4-[2,4-bis(tert-pentyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl]-1H-imidazolecarboxylate

inchi:
InChI=1/C43H61ClN4O6/c1-11-14-15-16-25-54-40(52)38-45-23-24-48(38)36(37(50)41(4,5)6)39(51)47-33-28-30(20-21-32(33)44)46-35(49)18-17-26-53-34-22-19-29(42(7,8)12-2)27-31(34)43(9,10)13-3/h19-24,27-28,36H,11-18,25-26H2,1-10H3,(H,46,49)(H,47,51)


name: Tripotassium 1,1',1''-nitrilotris(ethanesulphonate)
cas: 84195-68-6
formula: C6H15NO9S3.3K
inchikey: WLIOXCBCKHVPLL-UHFFFAOYSA-K
norman_susdat_id: NS00089831
smiles: [K+].[K+].[K+].CC(N(C(C)S(=O)(=O)[O-])C(C)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C6H15NO9S3.3K/c1-4(17(8,9)10)7(5(2)18(11,12)13)6(3)19(14,15)16;;;/h4-6H,1-3H3,(H,8,9,10)(H,11,12,13)(H,14,15,16);;;/q;3*+1/p-3


name: Disodium 1,1'-iminobis(ethanesulphonate)
cas: 84195-69-7
dtxsid: DTXSID201004443
formula: C4H11NO6S2
inchikey: PQFIJBGHHZONMM-UHFFFAOYSA-L
norman_susdat_id: NS00058033
pubchem_cid: 44151000
smiles: [Na+].[Na+].O=S(=O)([O-])C(NC(C)S(=O)(=O)[O-])C
inchi:
InChI=1/C4H11NO6S2.2Na/c1-3(12(6,7)8)5-4(2)13(9,10)11;;/h3-5H,1-2H3,(H,6,7,8)(H,9,10,11);;/q;2*+1/p-2


cas: 84195-76-6
dtxsid: DTXSID001004447
formula: C20H6Cl14NO2
inchikey: YMERVEOEVPNZQG-UHFFFAOYSA-N
norman_susdat_id: NS00058520
pubchem_cid: 2724005
name:
1,2,3,4,5,6,7,8,9,10,13,13,14,14-tetradecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4:5,8-dimethanotriphenylene

inchi:
InChI=1/C20H5Cl14NO2/c21-9-3(35(36)37)1-2-4(10(9)22)6-8(18(30)14(26)12(24)16(6,28)20(18,33)34)7-5(2)15(27)11(23)13(25)17(7,29)19(15,31)32/h1,5-8H

smiles:
O=[N+]([O-])C=1C=C2C(=C(Cl)C1Cl)C3C(C4C2C5(Cl)C(Cl)=C(Cl)C4(Cl)C5(Cl)Cl)C6(Cl)C(Cl)=C(Cl)C3(Cl)C6(Cl)Cl


name: 2,4-bis[2-[4-(dimethylamino)phenyl]vinyl]-1-ethylpyridinium iodide
cas: 84195-77-7
dtxsid: DTXSID701004448
formula: C27H32N3
inchikey: XPRYLWBGHVPGNC-UHFFFAOYSA-M
norman_susdat_id: NS00058452
pubchem_cid: NA
smiles: [I-].C(=CC1=CC=[N+](C(C=CC2=CC=C(C=C2)N(C)C)=C1)CC)C3=CC=C(C=C3)N(C)C
inchi:
InChI=1/C27H32N3.HI/c1-6-30-20-19-24(8-7-22-9-14-25(15-10-22)28(2)3)21-27(30)18-13-23-11-16-26(17-12-23)29(4)5;/h7-21H,6H2,1-5H3;1H/q+1;/p-1


cas: 84195-79-9
formula: C28H20N9O16S2
inchikey: BQFUNMMJZQKEMV-UHFFFAOYSA-N
norman_susdat_id: NS00058079
pubchem_cid: NA
name:
Disodium 4-[(2,4-dihydroxyphenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate, mono[(p-nitrophenyl)azo] mono[(2-hydroxy-3,5-dinitrophenyl)azo] derivative

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

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NOS(=O)(=O)C2=CC(N=NC3=CC=C(O)C=C3O)=C4C(O)=CC(=CC4=C2)S(=O)(=O)ON=NC=5C=C(C=C(C5O)[N+](=O)[O-])[N+](=O)[O-])C=C1


name: Bis[9,10-dioxoanthracene-1-diazonium] tetrachlorozincate(2-)
cas: 84195-93-7
formula: C14H7N2O2.1/2Cl4Zn
inchikey: VSRDSDNVJZTWAR-UHFFFAOYSA-J
norman_susdat_id: NS00090021
smiles: Cl[Zn-2](Cl)(Cl)Cl.O=C1c2ccccc2C(=O)c3c(cccc13)[N+]#N.O=C4c5ccccc5C(=O)c6c(cccc46)[N+]#N
inchi:
InChI=1/2C14H7N2O2.4ClH.Zn/c2*15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17;;;;;/h2*1-7H;4*1H;/q2*+1;;;;;+2/p-4/r2C14H7N2O2.Cl4Zn/c2*15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17;1-5(2,3)4/h2*1-7H;/q2*+1;-2


name: 2-(phenylsulphonyl)benzenediazonium tetrachlorozincate (2:1)
cas: 84195-94-8
dtxsid: DTXSID60233110
formula: C12H9N2O2S
inchikey: YXBXZUNEIHBEHO-UHFFFAOYSA-J
norman_susdat_id: NS00059847
pubchem_cid: 44146819
smiles: N#[N+]C=1C=CC=CC1S(=O)(=O)C=2C=CC=CC2.N#[N+]C=1C=CC=CC1S(=O)(=O)C=2C=CC=CC2.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C12H9N2O2S.4ClH.Zn/c2*13-14-11-8-4-5-9-12(11)17(15,16)10-6-2-1-3-7-10;;;;;/h2*1-9H;4*1H;/q2*+1;;;;;+2/p-4/r2C12H9N2O2S.Cl4Zn/c2*13-14-11-8-4-5-9-12(11)17(15,16)10-6-2-1-3-7-10;1-5(2,3)4/h2*1-9H;/q2*+1;-2


name: 3-chloro-4-(dibutylamino)benzenediazonium hexafluorophosphate(1-)
cas: 84196-01-0
formula: C14H21ClN3.F6P
inchikey: ZQNYGOFEPONWRG-UHFFFAOYSA-N
norman_susdat_id: NS00090022
smiles: CCCCN(CCCC)c1ccc(cc1Cl)[N+]#N.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C14H21ClN3.F6P/c1-3-5-9-18(10-6-4-2)14-8-7-12(17-16)11-13(14)15;1-7(2,3,4,5)6/h7-8,11H,3-6,9-10H2,1-2H3;/q+1;-1


name: 2-Chloro-5-(4-chlorophenoxy)-4-diethylaminobenzenediazonium tetrafluoroborate
cas: 84196-02-1
chemspiderid: 17333664
dtxsid: DTXSID80233112
formula: C16H16Cl2N3O1
inchikey: SSKPYDDQRFDAPB-UHFFFAOYSA-N
norman_susdat_id: NS00038457
pubchem_cid: 16205459
smiles: F[B-](F)(F)F.CCN(CC)c1c(Oc2ccc(Cl)cc2)cc([N+]#N)c(Cl)c1
inchi:
InChI=1S/C16H16Cl2N3O/c1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12/h5-10H,3-4H2,1-2H3/q+1


name: 2-chloro-5-(4-chlorophenoxy)-4-diethylaminobenzenediazonium hexafluorophosphate
cas: 84196-03-2
formula: C16H16Cl2N3O.F6P
inchikey: YRCDBRIHHATXJH-UHFFFAOYSA-N
norman_susdat_id: NS00089546
smiles: CCN(CC)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C16H16Cl2N3O.F6P/c1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12;1-7(2,3,4,5)6/h5-10H,3-4H2,1-2H3;/q+1;-1


name: 4,8,12,15,19,23-hexaazahexacosanedinitrile
cas: 84196-05-4
dtxsid: DTXSID60233115
formula: C20H42N8
inchikey: OLIDNNLFIODMHK-UHFFFAOYSA-N
norman_susdat_id: NS00058406
pubchem_cid: 44148842
smiles: N#CCCNCCCNCCCNCCNCCCNCCCNCCC#N
inchi:
InChI=1/C20H42N8/c21-7-1-9-23-11-3-13-25-15-5-17-27-19-20-28-18-6-16-26-14-4-12-24-10-2-8-22/h23-28H,1-6,9-20H2


name: 1-[(4-fluorophenyl)methyl]-2,3-dihydro-2-(methylamino)quinazolin-4(1H)-one
cas: 84196-10-1
formula: C16H16FN3O
inchikey: IBDIVVAMYPQHIJ-UHFFFAOYSA-N
norman_susdat_id: NS00058951
pubchem_cid: 72998
smiles: O=C1NC(NC)N(C=2C=CC=CC12)CC3=CC=C(F)C=C3
inchi:
InChI=1/C16H16FN3O/c1-18-16-19-15(21)13-4-2-3-5-14(13)20(16)10-11-6-8-12(17)9-7-11/h2-9,16,18H,10H2,1H3,(H,19,21)


name: [(1,1-diphosphonoethyl)imino]bis(methanesulphonic) acid
cas: 84196-11-2
formula: C4H13NO12P2S2
inchikey: BYBZEMDTHKGLRT-UHFFFAOYSA-N
norman_susdat_id: NS00058408
pubchem_cid: 20435500
smiles: O=P(O)(O)C(N(CS(=O)(=O)O)CS(=O)(=O)O)(C)P(=O)(O)O
inchi:
InChI=1/C4H13NO12P2S2/c1-4(18(6,7)8,19(9,10)11)5(2-20(12,13)14)3-21(15,16)17/h2-3H2,1H3,(H2,6,7,8)(H2,9,10,11)(H,12,13,14)(H,15,16,17)


name: Potassium N-(carboxymethyl)-N-(1,1-diphosphonoethyl)glycinate
cas: 84196-12-3
dtxsid: DTXSID501004454
formula: C6H13NO10P2
inchikey: ARDSOIMYFBKNQX-UHFFFAOYSA-M
norman_susdat_id: NS00058409
pubchem_cid: 57354211
smiles: [K+].O=C([O-])CN(CC(=O)O)C(C)(P(=O)(O)O)P(=O)(O)O
inchi:
InChI=1/C6H13NO10P2.K/c1-6(18(12,13)14,19(15,16)17)7(2-4(8)9)3-5(10)11;/h2-3H2,1H3,(H,8,9)(H,10,11)(H2,12,13,14)(H2,15,16,17);/q;+1/p-1


name: 2-[(1-benzyl-4-piperidyl)amino]butyronitrile
cas: 84196-14-5
formula: C16H23N3
inchikey: XARCFSHZUKBOAM-UHFFFAOYSA-N
norman_susdat_id: NS00059848
pubchem_cid: 98067
smiles: N#CC(NC1CCN(CC=2C=CC=CC2)CC1)CC
inchi:
InChI=1/C16H23N3/c1-2-15(12-17)18-16-8-10-19(11-9-16)13-14-6-4-3-5-7-14/h3-7,15-16,18H,2,8-11,13H2,1H3


name: 2-[[1-(benzyl)-4-piperidyl]amino]butyric acid
cas: 84196-15-6
dtxsid: DTXSID901004456
formula: C16H24N2O2
inchikey: VAKUUPZGMCTDKA-UHFFFAOYSA-N
norman_susdat_id: NS00058410
pubchem_cid: 3019757
smiles: O=C(O)C(NC1CCN(CC=2C=CC=CC2)CC1)CC
inchi:
InChI=1/C16H24N2O2/c1-2-15(16(19)20)17-14-8-10-18(11-9-14)12-13-6-4-3-5-7-13/h3-7,14-15,17H,2,8-12H2,1H3,(H,19,20)


name: N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropionamide hydrochloride
cas: 84196-16-7
formula: C16H24N2O2.ClH
inchikey: RVUDUAGGKPDPDM-UHFFFAOYSA-N
norman_susdat_id: NS00089353
smiles: Cl.CCC(=O)N(c1ccccc1)C2(COC)CCNCC2
inchi:
InChI=1/C16H24N2O2.ClH/c1-3-15(19)18(14-7-5-4-6-8-14)16(13-20-2)9-11-17-12-10-16;/h4-8,17H,3,9-13H2,1-2H3;1H


name: 2-[[1-(benzyl)-4-piperidyl]amino]butyramide
cas: 84196-17-8
formula: C16H25N3O
inchikey: LQPQEIAICVVOIT-UHFFFAOYSA-N
norman_susdat_id: NS00058930
pubchem_cid: 98061
smiles: O=C(N)C(NC1CCN(CC=2C=CC=CC2)CC1)CC
inchi:
InChI=1/C16H25N3O/c1-2-15(16(17)20)18-14-8-10-19(11-9-14)12-13-6-4-3-5-7-13/h3-7,14-15,18H,2,8-12H2,1H3,(H2,17,20)


name: N2-(1-benzyl-4-piperidyl)butane-1,2-diamine
cas: 84196-18-9
dtxsid: DTXSID601004457
formula: C16H27N3
inchikey: QUFUCZKLZXBWAU-UHFFFAOYSA-N
norman_susdat_id: NS00058969
pubchem_cid: 25090893
smiles: NCC(NC1CCN(CC=2C=CC=CC2)CC1)CC
inchi:
InChI=1/C16H27N3/c1-2-15(12-17)18-16-8-10-19(11-9-16)13-14-6-4-3-5-7-14/h3-7,15-16,18H,2,8-13,17H2,1H3


name: (2-chloro-5-isopropyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile
cas: 84196-19-0
dtxsid: DTXSID301004458
formula: C17H15Cl2N2O2
inchikey: PYFKNLQRSXRKNV-UHFFFAOYSA-N
norman_susdat_id: NS00059884
pubchem_cid: 3019759
smiles: N#CC(C1=CC=C(Cl)C=C1)C=2C=C(C(=CC2Cl)[N+](=O)[O-])C(C)C
inchi:
InChI=1/C17H14Cl2N2O2/c1-10(2)13-7-14(16(19)8-17(13)21(22)23)15(9-20)11-3-5-12(18)6-4-11/h3-8,10,15H,1-2H3


name: (4-amino-2-chloro-5-isopropylphenyl)(4-chlorophenyl)acetonitrile
cas: 84196-20-3
dtxsid: DTXSID001004459
formula: C17H16Cl2N2
inchikey: KRPCKIYOWMLSKB-UHFFFAOYSA-N
norman_susdat_id: NS00058976
pubchem_cid: 3019760
smiles: N#CC(C1=CC=C(Cl)C=C1)C=2C=C(C(N)=CC2Cl)C(C)C
inchi:
InChI=1/C17H16Cl2N2/c1-10(2)13-7-14(16(19)8-17(13)21)15(9-20)11-3-5-12(18)6-4-11/h3-8,10,15H,21H2,1-2H3


name: [4-[(4-chlorophenyl)cyanomethyl]-5-chloro-2-isopropylphenyl]ammonium chloride
cas: 84196-21-4
formula: C17H16Cl2N2.ClH
inchikey: VCYBWPRKAGMVSE-UHFFFAOYSA-N
norman_susdat_id: NS00090028
smiles: [Cl-].CC(C)c1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1[NH3+]
inchi:
InChI=1/C17H16Cl2N2.ClH/c1-10(2)13-7-14(16(19)8-17(13)21)15(9-20)11-3-5-12(18)6-4-11;/h3-8,10,15H,21H2,1-2H3;1H


name: Bis[4-(phenylazo)benzene-1,3-diamine] sulphate
cas: 84196-22-5
formula: C12H12N4.1/2H2O4S
inchikey: RFJSYECVGBBDGY-UHFFFAOYSA-N
norman_susdat_id: NS00089559
smiles: OS(O)(=O)=O.Nc2ccc(N=Nc1ccccc1)c(N)c2.Nc2ccc(N=Nc1ccccc1)c(N)c2
inchi:
InChI=1/2C12H12N4.H2O4S/c2*13-9-6-7-12(11(14)8-9)16-15-10-4-2-1-3-5-10;1-5(2,3)4/h2*1-8H,13-14H2;(H2,1,2,3,4)


name: 1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium thiocyanate
cas: 84196-23-6
formula: C20H24N3.CNS
inchikey: ZZDGSNURKRZVBR-UHFFFAOYSA-M
norman_susdat_id: NS00090042
smiles: [S-]C#N.Cc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C
inchi:
InChI=1/C20H24N3.CHNS/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;2-1-3/h6-14H,1-5H3;3H/q+1;/p-1


name: 2-[2-[(4-methoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium thiocyanate
cas: 84196-24-7
formula: C20H23N2O.CNS
inchikey: ZBDRPYAJKGDWMA-UHFFFAOYSA-N
norman_susdat_id: NS00090043
smiles: COc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[S-]C#N
inchi:
InChI=1/C20H22N2O.CHNS/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;2-1-3/h5-14H,1-4H3;3H


name: 2'-(3-Bromobenzoyl)3-bromobenzohydrazide
cas: 84196-25-8
chemspiderid: 979222
dtxsid: DTXSID40233118
formula: C14H10Br2N2O2
inchikey: MZIKEXGTFIAUJY-UHFFFAOYSA-N
norman_susdat_id: NS00038460
pubchem_cid: 1154385
smiles: Brc1cccc(c1)C(=O)NNC(=O)c1cc(Br)ccc1
inchi:
InChI=1S/C14H10Br2N2O2/c15-11-5-1-3-9(7-11)13(19)17-18-14(20)10-4-2-6-12(16)8-10/h1-8H,(H,17,19)(H,18,20)


cas: 84196-26-9
formula: C27H30N2O7S2.C13H13N3
inchikey: MQBUWMCGNZZCMS-UHFFFAOYSA-L
norman_susdat_id: NS00090044
name:
Hydrogen 3,6-bis(diethylamino)-9-(2,4-disulphonatophenyl)xanthylium, compound with N,N'-diphenylguanidine (1:1)

inchi:
InChI=1/C27H30N2O7S2.C13H13N3/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;14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h9-17H,5-8H2,1-4H3,(H-,30,31,32,33,34,35);1-10H,(H3,14,15,16)/p-1

smiles:
CCN(CC)c1ccc2c(c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-])c4ccc(cc4[o+]c2c1)N(CC)CC.N=C(Nc5ccccc5)Nc6ccccc6


name: Potassium hydrogen 7-aminonaphthalene-1,3-disulphonate
cas: 842-15-9
formula: C10H9NO6S2.K
inchikey: GOPRYBNRWIBTIH-UHFFFAOYSA-L
norman_susdat_id: NS00080083
smiles: [K+].Nc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO6S2.K/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-2


name: Sodium hydrogen 7-aminonaphthalene-1,3-disulphonate
cas: 842-16-0
formula: C10H9NO6S2.Na
inchikey: WXLAGQSCYQGDAR-UHFFFAOYSA-L
norman_susdat_id: NS00080084
smiles: [Na+].Nc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO6S2.Na/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-2


name: Disodium 7-aminonaphthalene-1,3-disulphonate
cas: 842-17-1
formula: C10H9NO6S2.2Na
inchikey: OHWJIXLZUWRMQY-UHFFFAOYSA-L
norman_susdat_id: NS00079826
smiles: [Na+].[Na+].Nc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO6S2.2Na/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


name: Dipotassium 7-hydroxynaphthalene-1,3-disulphonate
cas: 842-18-2
formula: C10H8O7S2.2K
inchikey: LKDMVWRBMGEEGR-UHFFFAOYSA-L
norman_susdat_id: NS00079591
smiles: [K+].[K+].Oc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O7S2.2K/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


name: Disodium 7-hydroxynaphthalene-1,3-disulphonate
cas: 842-19-3
formula: C10H8O7S2.2Na
inchikey: IEXIPYCHASVPFD-UHFFFAOYSA-L
norman_susdat_id: NS00079822
smiles: [Na+].[Na+].Oc1ccc2cc(cc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O7S2.2Na/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


name: 7-Methyl-6,8-bis(methylthio)pyrrolo(1,2-a)pyrazine
cas: 84201-40-1
chemspiderid: NA
dtxsid: DTXSID30233127
formula: C14H17N1O5
inchikey: ZBHHMKQJXLOKMU-UHFFFAOYSA-N
norman_susdat_id: NS00002715
pubchem_cid: NA
smiles: CC(N(C(=O)CC(O)=O)c1c(C)cccc1C)C(O)=O
inchi:
InChI=1S/C14H17NO5/c1-8-5-4-6-9(2)13(8)15(10(3)14(19)20)11(16)7-12(17)18/h4-6,10H,7H2,1-3H3,(H,17,18)(H,19,20)


name: (7E)-9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Heptadecafluorohexadec-7-ene
cas: 84201-60-5
dtxsid: DTXSID30896675
formula: C16H15F17
inchikey: UNXXMDJDQMKIJO-BQYQJAHWSA-N
norman_susdat_id: NS00110134
smiles: CCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H15F17/c1-2-3-4-5-6-7-8-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8H,2-6H2,1H3/b8-7+


name: Canagliflozin
cas: 842133-18-0
chemspiderid: 26333259
formula: C24H25F1O5S1
inchikey: XTNGUQKDFGDXSJ-UHFFFAOYSA-N
norman_susdat_id: NS00040698
pubchem_cid: 24812758
smiles: Cc1ccc(cc1Cc1ccc(s1)-c1ccc(F)cc1)C1OC(CO)C(O)C(O)C1O
inchi:
InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3


name: 3-chloro-4-(hexahydro-1H-azepin-1-yl)benzenediazonium tetrachlorozincate (2:1)
cas: 84215-44-1
formula: C12H15ClN3.1/2Cl4Zn
inchikey: XVWOPPJVVPXFRU-UHFFFAOYSA-J
norman_susdat_id: NS00089564
smiles: Clc1cc(ccc1N2CCCCCC2)[N+]#N.Clc3cc(ccc3N4CCCCCC4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C12H15ClN3.4ClH.Zn/c2*13-11-9-10(15-14)5-6-12(11)16-7-3-1-2-4-8-16;;;;;/h2*5-6,9H,1-4,7-8H2;4*1H;/q2*+1;;;;;+2/p-4/r2C12H15ClN3.Cl4Zn/c2*13-11-9-10(15-14)5-6-12(11)16-7-3-1-2-4-8-16;1-5(2,3)4/h2*5-6,9H,1-4,7-8H2;/q2*+1;-2


name: Disodium 3,6-bis[[2-[(dihydroxyarsino)oxy]phenyl]azo]-4,5-dihydroxynaphthalene-2,7-disulphonate
cas: 84215-47-4
formula: C22H18As2N4O14S2.2Na
inchikey: BJIZICWQTJZZLQ-UHFFFAOYSA-L
norman_susdat_id: NS00089571
inchi:
InChI=1/C22H18As2N4O14S2.2Na/c29-21-18-11(9-16(43(35,36)37)19(21)27-25-12-5-1-3-7-14(12)41-23(31)32)10-17(44(38,39)40)20(22(18)30)28-26-13-6-2-4-8-15(13)42-24(33)34;;/h1-10,29-34H,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O[As](O)Oc4ccccc4N=Nc3c(cc2cc(c(N=Nc1ccccc1O[As](O)O)c(O)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O


name: Disodium 3-[[2-[(dihydroxyarsino)oxy]phenyl]azo]-4,5-dihydroxynaphthalene-2,7-disulphonate
cas: 84215-48-5
formula: C16H13AsN2O11S2.2Na
inchikey: QTNQKUWSUFYUBN-UHFFFAOYSA-L
norman_susdat_id: NS00089565
smiles: [Na+].[Na+].O[As](O)Oc3ccccc3N=Nc2c(cc1cc(cc(O)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O
inchi:
InChI=1/C16H13AsN2O11S2.2Na/c20-11-7-9(31(24,25)26)5-8-6-13(32(27,28)29)15(16(21)14(8)11)19-18-10-3-1-2-4-12(10)30-17(22)23;;/h1-7,20-23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: 4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methylene]bis[N,N-dimethylaniline] monohydrochloride
cas: 84215-49-6
chebiid: CHEBI:90108
formula: C23H25N3
inchikey: WWKGVZASJYXZKN-UHFFFAOYSA-N
norman_susdat_id: NS00059906
pubchem_cid: 198737
smiles: Cl.N=C1C=CC(C=C1)=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
inchi:
InChI=1/C23H25N3.ClH/c1-25(2)21-13-7-18(8-14-21)23(17-5-11-20(24)12-6-17)19-9-15-22(16-10-19)26(3)4;/h5-16,24H,1-4H3;1H


name: Sodium trihydrogen [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate
cas: 84215-53-2
formula: C4H13NO7P2.Na
inchikey: TZMFSKGQNJCLEU-UHFFFAOYSA-J
norman_susdat_id: NS00089572
smiles: [Na+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C4H13NO7P2.Na/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);/q;+1/p-4


name: Disodium dihydrogen [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate
cas: 84215-54-3
formula: C4H13NO7P2.2Na
inchikey: UJPSNOGWPMYQQS-UHFFFAOYSA-J
norman_susdat_id: NS00089573
smiles: [Na+].[Na+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C4H13NO7P2.2Na/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);;/q;2*+1/p-4


name: Trisodium hydrogen [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate
cas: 84215-55-4
formula: C4H13NO7P2.3Na
inchikey: IOVSFBPYZNHZGM-UHFFFAOYSA-J
norman_susdat_id: NS00090046
smiles: [Na+].[Na+].[Na+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C4H13NO7P2.3Na/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);;;/q;3*+1/p-4


name: N,N'-[[(3-hydroxypropyl)imino]diethylene]distearamide monoacetate
cas: 84215-58-7
dtxsid: DTXSID90233143
formula: C43H87N3O3
inchikey: CUIZQOCISKHXDI-UHFFFAOYSA-N
norman_susdat_id: NS00058978
pubchem_cid: 44152104
smiles: O=C(O)C.O=C(NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)CCCO)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C43H87N3O3.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-42(48)44-36-39-46(38-33-41-47)40-37-45-43(49)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h47H,3-41H2,1-2H3,(H,44,48)(H,45,49);1H3,(H,3,4)


name: Didodecyl hydrogen phosphate, compound with N,N-dimethylcyclohexylamine (1:1)
cas: 84215-59-8
formula: C24H51O4P.C8H17N
inchikey: DDAPSNVDRBARKL-UHFFFAOYSA-N
norman_susdat_id: NS00089567
smiles: CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC.CN(C)C1CCCCC1
inchi:
InChI=1/C24H51O4P.C8H17N/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2;1-9(2)8-6-4-3-5-7-8/h3-24H2,1-2H3,(H,25,26);8H,3-7H2,1-2H3


name: N,N'-[iminobis(ethyleneiminoethylene)]bis(stearamide) monoacetate
cas: 84215-60-1
formula: C44H87N5O2.C2H4O2
inchikey: MVLARNWGFHCMHK-UHFFFAOYSA-N
norman_susdat_id: NS00089568
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O
inchi:
InChI=1/C44H91N5O2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h45-47H,3-42H2,1-2H3,(H,48,50)(H,49,51);1H3,(H,3,4)


name: Raclopride
cas: 84225-95-6
chebiid: CHEBI:92070
chemspiderid: 2298373
dtxsid: DTXSID9045687
formula: C15H20Cl2N2O3
inchikey: WAOQONBSWFLFPE-VIFPVBQESA-N
norman_susdat_id: NS00015036
pubchem_cid: 3033769
smiles: CCN1CCC[C@H]1CN=C(c1c(O)c(Cl)cc(c1OC)Cl)O
inchi:
InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1


cas: 84229-70-9
dtxsid: DTXSID20904319
formula: C28H29N5O21S6
inchikey: HFPRJSOAOWITGC-UHFFFAOYSA-J
norman_susdat_id: NS00059015
pubchem_cid: 135718391
name:
Tetrasodium 4-amino-6-[[2,5-dimethoxy-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-5-hydroxy-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C28H29N5O21S6.4Na/c1-51-19-14-21(56(37,38)10-8-54-60(48,49)50)20(52-2)13-18(19)31-33-27-23(58(42,43)44)12-15-11-22(57(39,40)41)26(25(29)24(15)28(27)34)32-30-16-3-5-17(6-4-16)55(35,36)9-7-53-59(45,46)47;;;;/h3-6,11-14,34H,7-10,29H2,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])OCCS(=O)(=O)C1=CC=C(N=NC=2C(N)=C3C(O)=C(N=NC=4C=C(OC)C(=CC4OC)S(=O)(=O)CCOS(=O)(=O)[O-])C(=CC3=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1


name: Benzenesulfonic acid, 4-dodecyl-, cerium(4+) salt, basic
cas: 84238-45-9
formula: -
inchikey: XEKFHDNQAHVDCQ-UHFFFAOYSA-M
norman_susdat_id: NS00089383
smiles: [Ce+4].CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1/C18H30O3S.Ce/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+4/p-1


name: Benzyl[11-[benzyl(2-hydroxyphenethyl)amino]undecyl](2-hydroxyethyl)phenacylammonium chloride
cas: 84254-85-3
dtxsid: DTXSID901004513
formula: C43H57N2O3
inchikey: KTCMDOCMQBZFOH-UHFFFAOYSA-N
norman_susdat_id: NS00058282
pubchem_cid: NA
smiles: [Cl-].O=C(C=1C=CC=CC1)C[N+](CC=2C=CC=CC2)(CCO)CCCCCCCCCCCN(CC=3C=CC=CC3)CCC=4C=CC=CC4O
inchi:
InChI=1/C43H56N2O3.ClH/c46-34-33-45(36-39-23-13-9-14-24-39,37-43(48)40-25-15-10-16-26-40)32-20-7-5-3-1-2-4-6-19-30-44(35-38-21-11-8-12-22-38)31-29-41-27-17-18-28-42(41)47;/h8-18,21-28,46H,1-7,19-20,29-37H2;1H


cas: 84254-90-0
dtxsid: DTXSID301004515
formula: C42H40N3OS4
inchikey: TULZTHZHXHDLAG-UHFFFAOYSA-M
norman_susdat_id: NS00058283
pubchem_cid: 57354220
name:
3-ethyl-2-[(3-ethyl-4,5-diphenylthiazol-2(3H)-ylidene)methyl]-5-[2-(3-ethyl-6,7,8,9-tetrahydronaphtho[2,1-d]thiazol-2(3H)-ylidene)-1-(2-thienyl)ethylidene]-4,5-dihydro-4-oxothiazolium iodide

inchi:
InChI=1/C42H40N3OS4.HI/c1-4-43-33-24-23-28-16-13-14-21-31(28)40(33)49-35(43)26-32(34-22-15-25-47-34)41-42(46)45(6-3)37(50-41)27-36-44(5-2)38(29-17-9-7-10-18-29)39(48-36)30-19-11-8-12-20-30;/h7-12,15,17-20,22-27H,4-6,13-14,16,21H2,1-3H3;1H/q+1;/p-1

smiles:
[I-].O=C1C(SC(C=C2SC(C=3C=CC=CC3)=C(C=4C=CC=CC4)N2CC)=[N+]1CC)=C(C=C5SC=6C(=CC=C7C6CCCC7)N5CC)C=8SC=CC8


name: 3-ethyl-1,6,7,11b-tetrahydro-9,10-dimethoxy-4H-benzo[a]quinolizine-2-acetic acid
cas: 84254-95-5
dtxsid: DTXSID101004519
formula: C19H25NO4
inchikey: MRYCPUFOGFAHTC-UHFFFAOYSA-N
norman_susdat_id: NS00058728
pubchem_cid: 56843158
smiles: O=C(O)CC1=C(CN2CCC3=CC(OC)=C(OC)C=C3C2C1)CC
inchi:
InChI=1/C19H25NO4/c1-4-12-11-20-6-5-13-8-17(23-2)18(24-3)10-15(13)16(20)7-14(12)9-19(21)22/h8,10,16H,4-7,9,11H2,1-3H3,(H,21,22)


name: 1'-(Phenylmethyl)-(1,4'-bipiperidine)-4'-carbonitrile
cas: 84254-97-7
chemspiderid: 2015231
dtxsid: DTXSID80233172
formula: C18H25N3
inchikey: XXZATAXHOSMHKY-UHFFFAOYSA-N
norman_susdat_id: NS00038462
pubchem_cid: 2733434
smiles: N#CC1(CC[NH+](Cc2ccccc2)CC1)[NH+]1CCCCC1
inchi:
InChI=1S/C18H25N3/c19-16-18(21-11-5-2-6-12-21)9-13-20(14-10-18)15-17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-15H2


name: 4-(p-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carboxylic acid
cas: 84254-98-8
chemspiderid: 2286867
dtxsid: DTXSID40233173
formula: C19H20Cl1N1O4S1
inchikey: HCBWXTUQOKBKOO-UHFFFAOYSA-N
norman_susdat_id: NS00038463
pubchem_cid: 3019785
smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)(C(=O)O)c1ccc(Cl)cc1
inchi:
InChI=1S/C19H20ClNO4S/c1-14-2-8-17(9-3-14)26(24,25)21-12-10-19(11-13-21,18(22)23)15-4-6-16(20)7-5-15/h2-9H,10-13H2,1H3,(H,22,23)


name: 1-Benzyl-4-((3-chlorophenyl)amino)piperidine-4-carbonitrile
cas: 84254-99-9
chemspiderid: 87043
dtxsid: DTXSID00233174
formula: C19H20Cl1N3
inchikey: RSJDUDFFVNFZPH-UHFFFAOYSA-N
norman_susdat_id: NS00038464
pubchem_cid: 96422
smiles: Clc1cccc(NC2(CCN(Cc3ccccc3)CC2)C#N)c1
inchi:
InChI=1S/C19H20ClN3/c20-17-7-4-8-18(13-17)22-19(15-21)9-11-23(12-10-19)14-16-5-2-1-3-6-16/h1-8,13,22H,9-12,14H2


name: 1-Benzyl-4-((2-chlorophenyl)amino)piperidine-4-carbonitrile
cas: 84255-00-5
chemspiderid: 2286868
dtxsid: DTXSID60233175
formula: C19H20Cl1N3
inchikey: TVNMBSRPUFFJBV-UHFFFAOYSA-N
norman_susdat_id: NS00038465
pubchem_cid: 3019786
smiles: Clc1c(NC2(CCN(Cc3ccccc3)CC2)C#N)cccc1
inchi:
InChI=1S/C19H20ClN3/c20-17-8-4-5-9-18(17)22-19(15-21)10-12-23(13-11-19)14-16-6-2-1-3-7-16/h1-9,22H,10-14H2


name: 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carboxylic acid
cas: 84255-02-7
chemspiderid: 89178
dtxsid: DTXSID80233177
formula: C19H21N1O4S1
inchikey: RUPQNAVADOVYKW-UHFFFAOYSA-N
norman_susdat_id: NS00038466
pubchem_cid: 98738
smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)(C(=O)O)c1ccccc1
inchi:
InChI=1S/C19H21NO4S/c1-15-7-9-17(10-8-15)25(23,24)20-13-11-19(12-14-20,18(21)22)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,22)


cas: 84255-04-9
dtxsid: DTXSID801004522
formula: C28H32N4O4
inchikey: QCSFBRDXPIUVII-UHFFFAOYSA-N
norman_susdat_id: NS00058779
pubchem_cid: 3019789
smiles: O=C(N)CC1=CC=C(OCC(O)CN(CC=2C=CC=CC2)CCCN3C(=O)NC=4C=CC=CC43)C=C1
name:
4-[3-[[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl](phenylmethyl)amino]-2-hydroxypropoxy]phenylacetamide

inchi:
InChI=1/C28H32N4O4/c29-27(34)17-21-11-13-24(14-12-21)36-20-23(33)19-31(18-22-7-2-1-3-8-22)15-6-16-32-26-10-5-4-9-25(26)30-28(32)35/h1-5,7-14,23,33H,6,15-20H2,(H2,29,34)(H,30,35)


name: N-[1-benzyl-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropionamide hydrochloride
cas: 84255-05-0
formula: C23H30N2O2.ClH
inchikey: UBALQEDCSFDNTM-UHFFFAOYSA-N
norman_susdat_id: NS00089513
smiles: Cl.CCC(=O)N(c1ccccc1)C2(COC)CCN(Cc3ccccc3)CC2
inchi:
InChI=1/C23H30N2O2.ClH/c1-3-22(26)25(21-12-8-5-9-13-21)23(19-27-2)14-16-24(17-15-23)18-20-10-6-4-7-11-20;/h4-13H,3,14-19H2,1-2H3;1H


name: 1-Benzhydryl-4-((4-methoxy-3-nitrophenyl)methyl)piperazine
cas: 84255-06-1
chemspiderid: 2286872
dtxsid: DTXSID00233179
formula: C25H27N3O3
inchikey: GDMKQKMDYSNLQY-UHFFFAOYSA-N
norman_susdat_id: NS00038467
pubchem_cid: 3019791
smiles: COc1c(cc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1)[N+](=O)[O-]
inchi:
InChI=1S/C25H27N3O3/c1-31-24-13-12-20(18-23(24)28(29)30)19-26-14-16-27(17-15-26)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,25H,14-17,19H2,1H3


name: 1-ethyl-4-[(3-ethyl-3H-benzoselenazol-2-ylidene)methyl]quinolinium iodide
cas: 84255-09-4
formula: C21H21N2Se.I
inchikey: HPPHBVFVJDGRHH-UHFFFAOYSA-M
norman_susdat_id: NS00089497
smiles: [I-].CC[n+]4ccc(C=C2[Se]c1ccccc1N2CC)c3ccccc34
inchi:
InChI=1/C21H21N2Se.HI/c1-3-22-14-13-16(17-9-5-6-10-18(17)22)15-21-23(4-2)19-11-7-8-12-20(19)24-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1


cas: 84255-10-7
formula: C37H27N5O6S2
inchikey: MCUGYVNNLMUUGR-UHFFFAOYSA-L
norman_susdat_id: NS00058817
pubchem_cid: 11970818
name:
Disodium 8-[(4-methylphenyl)amino]-5-[[4-[(6-sulphonato-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1-sulphonate

inchi:
InChI=1/C37H27N5O6S2.2Na/c1-23-12-14-25(15-13-23)38-35-21-20-34(30-9-5-11-36(37(30)35)50(46,47)48)42-41-33-19-18-32(28-7-2-3-8-29(28)33)40-39-31-10-4-6-24-22-26(49(43,44)45)16-17-27(24)31;;/h2-22,38H,1H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC3=CC=C(N=NC=4C=CC(NC5=CC=C(C=C5)C)=C6C4C=CC=C6S(=O)(=O)[O-])C=7C=CC=CC37)=CC=CC2C1


name: 5,5-dimethyl-2-[(4-methyl-3-nitrophenyl)azo]cyclohexane-1,3-dione
cas: 84255-11-8
formula: C15H18N3O4
inchikey: HZEHEXLYQVLMSV-UHFFFAOYSA-N
norman_susdat_id: NS00058780
pubchem_cid: 3019794
smiles: O=C1CC(C)(C)CC(=O)C1N=NC2=CC=C(C(=C2)[N+](=O)[O-])C
inchi:
InChI=1/C15H17N3O4/c1-9-4-5-10(6-11(9)18(21)22)16-17-14-12(19)7-15(2,3)8-13(14)20/h4-6,14H,7-8H2,1-3H3


name: 2-[[4-(2,2-dicyanovinyl)phenyl]ethylamino]ethyl benzoate
cas: 84255-12-9
dtxsid: DTXSID501004523
formula: C21H19N3O2
inchikey: PMUMOWURAMVFIJ-UHFFFAOYSA-N
norman_susdat_id: NS00058781
pubchem_cid: 21149603
smiles: N#CC(C#N)=CC1=CC=C(C=C1)N(CC)CCOC(=O)C=2C=CC=CC2
inchi:
InChI=1/C21H19N3O2/c1-2-24(12-13-26-21(25)19-6-4-3-5-7-19)20-10-8-17(9-11-20)14-18(15-22)16-23/h3-11,14H,2,12-13H2,1H3


name: 4,4'-carbonimidoylbis[N,N-dimethylaniline] nitrate
cas: 84255-15-2
formula: C17H21N3.HNO3
inchikey: LORQGAZBFSNIPI-UHFFFAOYSA-N
norman_susdat_id: NS00089301
smiles: CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C.O[N+](=O)[O-]
inchi:
InChI=1/C17H21N3.HNO3/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;2-1(3)4/h5-12,18H,1-4H3;(H,2,3,4)


name: 2-[[4-[(2-cyanoethyl)ethylamino]-o-tolyl]azo]-5-nitrobenzonitrile
cas: 84255-17-4
formula: C19H19N6O2
inchikey: FZBZYULVSAHGAU-UHFFFAOYSA-N
norman_susdat_id: NS00059746
pubchem_cid: 21149604
smiles: N#CC1=CC(=CC=C1N=NC2=CC=C(C=C2C)N(CC)CCC#N)[N+](=O)[O-]
inchi:
InChI=1/C19H18N6O2/c1-3-24(10-4-9-20)16-5-7-18(14(2)11-16)22-23-19-8-6-17(25(26)27)12-15(19)13-21/h5-8,11-12H,3-4,10H2,1-2H3


name: 5-Methyl-2-undecyl-1H-imidazole-4-carbodithioic acid
cas: 84255-19-6
chemspiderid: 2286877
dtxsid: DTXSID30233182
formula: C16H28N2S2
inchikey: PAEDOSGPFZUHAK-UHFFFAOYSA-N
norman_susdat_id: NS00038468
pubchem_cid: 3019798
smiles: CCCCCCCCCCCc1nc(C(=S)S)c(C)[nH]1
inchi:
InChI=1S/C16H28N2S2/c1-3-4-5-6-7-8-9-10-11-12-14-17-13(2)15(18-14)16(19)20/h3-12H2,1-2H3,(H,17,18)(H,19,20)


name: 2-Undecyl-1H-imidazole-4-carboxylic acid
cas: 84255-22-1
chemspiderid: 2286879
dtxsid: DTXSID10233185
formula: C15H26N2O2
inchikey: DIDXGZDIJOYLCZ-UHFFFAOYSA-N
norman_susdat_id: NS00038471
pubchem_cid: 3019800
smiles: CCCCCCCCCCCc1ncc([nH]1)C(=O)O
inchi:
InChI=1S/C15H26N2O2/c1-2-3-4-5-6-7-8-9-10-11-14-16-12-13(17-14)15(18)19/h12H,2-11H2,1H3,(H,16,17)(H,18,19)


name: 2-Heptadecyl-1H-imidazole-4-carboxylic acid
cas: 84255-23-2
chemspiderid: 2286880
dtxsid: DTXSID70233186
formula: C21H38N2O2
inchikey: NPSQOIASPSALLK-UHFFFAOYSA-N
norman_susdat_id: NS00038472
pubchem_cid: 3019801
smiles: CCCCCCCCCCCCCCCCCc1ncc([nH]1)C(=O)O
inchi:
InChI=1S/C21H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-22-18-19(23-20)21(24)25/h18H,2-17H2,1H3,(H,22,23)(H,24,25)


name: 4-Methyl-2-undecyl-1H-imidazole-5-carboxylic acid
cas: 84255-26-5
chemspiderid: 2286881
dtxsid: DTXSID90233188
formula: C16H28N2O2
inchikey: NHZIYMXVHIPXJY-UHFFFAOYSA-N
norman_susdat_id: NS00038474
pubchem_cid: 3019802
smiles: CCCCCCCCCCCc1nc(C(=O)O)c(C)[nH]1
inchi:
InChI=1S/C16H28N2O2/c1-3-4-5-6-7-8-9-10-11-12-14-17-13(2)15(18-14)16(19)20/h3-12H2,1-2H3,(H,17,18)(H,19,20)


cas: 84255-27-6
dtxsid: DTXSID50233189
formula: C17H20N2O5S
inchikey: FZUNHTVJWQLYPG-XEKVDKDVSA-N
norman_susdat_id: NS00059747
pubchem_cid: 598804
smiles: O=C(O)C1N(CC(O)C1)S(=O)(=O)C2=CC=CC=3C2=CC=CC3N(C)C.N1CCCCC1
name:
trans-1-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-4-hydroxy-L-proline, compound with piperidine (1:1)

inchi:
InChI=1/C17H20N2O5S.C5H11N/c1-18(2)14-7-3-6-13-12(14)5-4-8-16(13)25(23,24)19-10-11(20)9-15(19)17(21)22;1-2-4-6-5-3-1/h3-8,11,15,20H,9-10H2,1-2H3,(H,21,22);6H,1-5H2


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-isoleucine, compound with piperidine (1:1)
cas: 84255-29-8
formula: C18H24N2O4S
inchikey: GZONKPWJSKEJIC-YYEGJJRBSA-N
norman_susdat_id: NS00058315
pubchem_cid: 598791
smiles: O=C(O)C(NS(=O)(=O)C1=CC=CC=2C1=CC=CC2N(C)C)C(C)CC.N1CCCCC1
inchi:
InChI=1/C18H24N2O4S.C5H11N/c1-5-12(2)17(18(21)22)19-25(23,24)16-11-7-8-13-14(16)9-6-10-15(13)20(3)4;1-2-4-6-5-3-1/h6-12,17,19H,5H2,1-4H3,(H,21,22);6H,1-5H2


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-leucine, compound with piperidine (1:1)
cas: 84255-30-1
formula: C18H24N2O4S.C5H11N
inchikey: RMTYRELLCOHJLO-RSAXXLAASA-N
norman_susdat_id: NS00089514
smiles: CC(C)C[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3
inchi:
InChI=1/C18H24N2O4S.C5H11N/c1-12(2)11-15(18(21)22)19-25(23,24)17-10-6-7-13-14(17)8-5-9-16(13)20(3)4;1-2-4-6-5-3-1/h5-10,12,15,19H,11H2,1-4H3,(H,21,22);6H,1-5H2


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-methionine, compound with piperidine (1:1)
cas: 84255-32-3
dtxsid: DTXSID20233191
formula: C17H22N2O4S2
inchikey: CYWQGVOVQFVYJN-UQKRIMTDSA-N
norman_susdat_id: NS00058818
pubchem_cid: 633363
smiles: O=C(O)C(NS(=O)(=O)C1=CC=CC=2C1=CC=CC2N(C)C)CCSC.N1CCCCC1
inchi:
InChI=1/C17H22N2O4S2.C5H11N/c1-19(2)15-8-4-7-13-12(15)6-5-9-16(13)25(22,23)18-14(17(20)21)10-11-24-3;1-2-4-6-5-3-1/h4-9,14,18H,10-11H2,1-3H3,(H,20,21);6H,1-5H2


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-norleucine, compound with piperidine (1:1)
cas: 84255-33-4
dtxsid: DTXSID80233192
formula: C18H24N2O4S
inchikey: VNMZCEOBZVWGQI-RSAXXLAASA-N
norman_susdat_id: NS00058782
pubchem_cid: 44153095
smiles: O=C(O)C(NS(=O)(=O)C1=CC=CC=2C1=CC=CC2N(C)C)CCCC.N1CCCCC1
inchi:
InChI=1/C18H24N2O4S.C5H11N/c1-4-5-10-15(18(21)22)19-25(23,24)17-12-7-8-13-14(17)9-6-11-16(13)20(2)3;1-2-4-6-5-3-1/h6-9,11-12,15,19H,4-5,10H2,1-3H3,(H,21,22);6H,1-5H2


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-norvaline, compound with piperidine (1:1)
cas: 84255-34-5
dtxsid: DTXSID40233193
formula: C17H22N2O4S
inchikey: DYWNTZPEFCLIRT-UQKRIMTDSA-N
norman_susdat_id: NS00058819
pubchem_cid: 44146753
smiles: O=C(O)C(NS(=O)(=O)C1=CC=CC=2C1=CC=CC2N(C)C)CCC.N1CCCCC1
inchi:
InChI=1/C17H22N2O4S.C5H11N/c1-4-7-14(17(20)21)18-24(22,23)16-11-6-8-12-13(16)9-5-10-15(12)19(2)3;1-2-4-6-5-3-1/h5-6,8-11,14,18H,4,7H2,1-3H3,(H,20,21);6H,1-5H2


name: Disodium 2-benzoyl-7-naphthyl phosphate
cas: 84255-36-7
dtxsid: DTXSID001004528
formula: C17H13O5P
inchikey: YUYBFJNKRHIBIO-UHFFFAOYSA-L
norman_susdat_id: NS00058316
pubchem_cid: 16205471
smiles: [Na+].[Na+].O=C(C=1C=CC=CC1)C2=CC=C3C=CC(OP(=O)([O-])[O-])=CC3=C2
inchi:
InChI=1/C17H13O5P.2Na/c18-17(13-4-2-1-3-5-13)14-7-6-12-8-9-16(11-15(12)10-14)22-23(19,20)21;;/h1-11H,(H2,19,20,21);;/q;2*+1/p-2


name: 2-Heptadecyl-1H-imidazole-4-carbodithioic acid
cas: 84255-38-9
chemspiderid: 2286884
dtxsid: DTXSID20233196
formula: C21H38N2S2
inchikey: LSLHHVSRCDKRKB-UHFFFAOYSA-N
norman_susdat_id: NS00038476
pubchem_cid: 3019807
smiles: CCCCCCCCCCCCCCCCCc1ncc([nH]1)C(=S)S
inchi:
InChI=1S/C21H38N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-22-18-19(23-20)21(24)25/h18H,2-17H2,1H3,(H,22,23)(H,24,25)


name: 4-(1,3-diphenylbutyl)-m-xylene
cas: 84255-43-6
dtxsid: DTXSID701004529
formula: C24H26
inchikey: CVMZUUAJZMBCDI-UHFFFAOYSA-N
norman_susdat_id: NS00058799
pubchem_cid: 3019812
smiles: C=1C=CC(=CC1)C(C2=CC=C(C=C2C)C)CC(C=3C=CC=CC3)C
inchi:
InChI=1/C24H26/c1-18-14-15-23(20(3)16-18)24(22-12-8-5-9-13-22)17-19(2)21-10-6-4-7-11-21/h4-16,19,24H,17H2,1-3H3


name: 2-(1,3-diphenylbutyl)-p-xylene
cas: 84255-44-7
dtxsid: DTXSID001004530
formula: C24H26
inchikey: ABXLPLLAOXKDDO-UHFFFAOYSA-N
norman_susdat_id: NS00058317
pubchem_cid: 3019813
smiles: C=1C=CC(=CC1)C(C2=CC(=CC=C2C)C)CC(C=3C=CC=CC3)C
inchi:
InChI=1/C24H26/c1-18-14-15-19(2)23(16-18)24(22-12-8-5-9-13-22)17-20(3)21-10-6-4-7-11-21/h4-16,20,24H,17H2,1-3H3


name: 1-(1,3-diphenylbutyl)-4-ethylbenzene
cas: 84255-45-8
dtxsid: DTXSID701004531
formula: C24H26
inchikey: VCESGYYDVUQCQF-UHFFFAOYSA-N
norman_susdat_id: NS00059772
pubchem_cid: 3019814
smiles: C=1C=CC(=CC1)C(C2=CC=C(C=C2)CC)CC(C=3C=CC=CC3)C
inchi:
InChI=1/C24H26/c1-3-20-14-16-23(17-15-20)24(22-12-8-5-9-13-22)18-19(2)21-10-6-4-7-11-21/h4-17,19,24H,3,18H2,1-2H3


name: 1-(1,3-diphenylbutyl)-2-ethylbenzene
cas: 84255-46-9
dtxsid: DTXSID401004532
formula: C24H26
inchikey: NKDBDHVHJIIYRT-UHFFFAOYSA-N
norman_susdat_id: NS00058344
pubchem_cid: 3019815
smiles: C=1C=CC(=CC1)C(C=2C=CC=CC2CC)CC(C=3C=CC=CC3)C
inchi:
InChI=1/C24H26/c1-3-20-12-10-11-17-23(20)24(22-15-8-5-9-16-22)18-19(2)21-13-6-4-7-14-21/h4-17,19,24H,3,18H2,1-2H3


name: 2,5-bis(1-phenylethyl)-p-xylene
cas: 84255-47-0
dtxsid: DTXSID101004533
formula: C24H26
inchikey: GWMNFJKPPXCNRA-UHFFFAOYSA-N
norman_susdat_id: NS00058831
pubchem_cid: 3019816
smiles: C=1C=CC(=CC1)C(C2=CC(=C(C=C2C)C(C=3C=CC=CC3)C)C)C
inchi:
InChI=1/C24H26/c1-17-15-24(20(4)22-13-9-6-10-14-22)18(2)16-23(17)19(3)21-11-7-5-8-12-21/h5-16,19-20H,1-4H3


name: 1-ethyl-2,4-bis(1-phenylethyl)benzene
cas: 84255-48-1
dtxsid: DTXSID801004534
formula: C24H26
inchikey: OYKXYXMSGIHYFD-UHFFFAOYSA-N
norman_susdat_id: NS00058832
pubchem_cid: 3019817
smiles: C=1C=CC(=CC1)C(C2=CC=C(C(=C2)C(C=3C=CC=CC3)C)CC)C
inchi:
InChI=1/C24H26/c1-4-20-15-16-23(18(2)21-11-7-5-8-12-21)17-24(20)19(3)22-13-9-6-10-14-22/h5-19H,4H2,1-3H3


name: 4-ethyl-1,2-bis(1-phenylethyl)benzene
cas: 84255-49-2
dtxsid: DTXSID501004535
formula: C24H26
inchikey: HIWZLNTZYOZWBH-UHFFFAOYSA-N
norman_susdat_id: NS00058833
pubchem_cid: 3019818
smiles: C=1C=CC(=CC1)C(C2=CC=C(C=C2C(C=3C=CC=CC3)C)CC)C
inchi:
InChI=1/C24H26/c1-4-20-15-16-23(18(2)21-11-7-5-8-12-21)24(17-20)19(3)22-13-9-6-10-14-22/h5-19H,4H2,1-3H3


name: 1-phenyl-3-(2-phenylpropyl)indan
cas: 84255-50-5
dtxsid: DTXSID201004536
formula: C24H24
inchikey: JOJLONCHKZAGGP-UHFFFAOYSA-N
norman_susdat_id: NS00058345
pubchem_cid: 3019819
smiles: C=1C=CC(=CC1)C2C=3C=CC=CC3C(C2)CC(C=4C=CC=CC4)C
inchi:
InChI=1/C24H24/c1-18(19-10-4-2-5-11-19)16-21-17-24(20-12-6-3-7-13-20)23-15-9-8-14-22(21)23/h2-15,18,21,24H,16-17H2,1H3


name: [1-(4-ethylphenyl)ethyl](1-phenylethyl)benzene
cas: 84255-56-1
formula: C24H26
inchikey: MPQIOAJJRCPJPV-UHFFFAOYSA-N
norman_susdat_id: NS00058834
pubchem_cid: 3019820
smiles: C=1C=CC(=CC1)C(C=2C=CC=CC2C(C3=CC=C(C=C3)CC)C)C
inchi:
InChI=1/C24H26/c1-4-20-14-16-22(17-15-20)19(3)24-13-9-8-12-23(24)18(2)21-10-6-5-7-11-21/h5-19H,4H2,1-3H3


name: [1-(2-ethylphenyl)ethyl](1-phenylethyl)benzene
cas: 84255-57-2
formula: C24H26
inchikey: VRJIEIJMFRIVPQ-UHFFFAOYSA-N
norman_susdat_id: NS00058857
pubchem_cid: 3019821
smiles: C=1C=CC(=CC1)C(C=2C=CC=CC2C(C=3C=CC=CC3CC)C)C
inchi:
InChI=1/C24H26/c1-4-20-12-8-9-15-22(20)19(3)24-17-11-10-16-23(24)18(2)21-13-6-5-7-14-21/h5-19H,4H2,1-3H3


name: 1-methyl-3-[(1-phenylethyl)phenyl]indan
cas: 84255-58-3
dtxsid: DTXSID301004539
formula: C24H24
inchikey: AFRNTNXQRVUPKW-UHFFFAOYSA-N
norman_susdat_id: NS00058850
pubchem_cid: 3019822
smiles: C=1C=CC(=CC1)C(C=2C=CC=CC2C3C=4C=CC=CC4C(C)C3)C
inchi:
InChI=1/C24H24/c1-17-16-24(22-14-8-6-12-20(17)22)23-15-9-7-13-21(23)18(2)19-10-4-3-5-11-19/h3-15,17-18,24H,16H2,1-2H3


name: 1-methyl-3-phenyl(1-phenylethyl)indan
cas: 84255-60-7
dtxsid: DTXSID601004540
formula: C24H24
inchikey: KWUNDYOLBBLGIZ-UHFFFAOYSA-N
norman_susdat_id: NS00058858
pubchem_cid: 3019823
smiles: C=1C=CC(=CC1)C2C=3C=CC=CC3C(C)(C2)C(C=4C=CC=CC4)C
inchi:
InChI=1/C24H24/c1-18(19-11-5-3-6-12-19)24(2)17-22(20-13-7-4-8-14-20)21-15-9-10-16-23(21)24/h3-16,18,22H,17H2,1-2H3


cas: 84256-97-3
dtxsid: DTXSID30233203
formula: C47H84N4O5
inchikey: TYKXEXOKIKGRAJ-UHFFFAOYSA-N
norman_susdat_id: NS00059773
pubchem_cid: 11125630
smiles: O=C1N(CC(O)CN2C(=O)C3(OC24CCCCCCCCCCC4)CC(NC(C)(C)C3)(C)C)C5(OC16CC(NC(C)(C)C6)(C)C)CCCCCCCCCCC5
name:
20,20'-(2-hydroxypropane-1,3-diyl)bis[2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.11.2]henicosan-21-one]

inchi:
InChI=1/C47H84N4O5/c1-40(2)33-44(34-41(3,4)48-40)38(53)50(46(55-44)27-23-19-15-11-9-12-16-20-24-28-46)31-37(52)32-51-39(54)45(35-42(5,6)49-43(7,8)36-45)56-47(51)29-25-21-17-13-10-14-18-22-26-30-47/h37,48-49,52H,9-36H2,1-8H3


name: Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester
cas: 84268-33-7
chemspiderid: 84385
dtxsid: DTXSID9036488
formula: C20H23N3O3
inchikey: UJRDRFZCRQNLJM-UHFFFAOYSA-N
norman_susdat_id: NS00019540
pubchem_cid: 93481
smiles: COC(=O)CCC1=CC(=C(O)C(=C1)N1N=C2C=CC=CC2=N1)C(C)(C)C
inchi:
InChI=1S/C20H23N3O3/c1-20(2,3)14-11-13(9-10-18(24)26-4)12-17(19(14)25)23-21-15-7-5-6-8-16(15)22-23/h5-8,11-12,25H,9-10H2,1-4H3


name: Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-
cas: 84268-36-0
chemspiderid: 139534
dtxsid: DTXSID4073671
formula: C19H21N3O3
inchikey: OYGYNUPKLMDVHM-UHFFFAOYSA-N
norman_susdat_id: NS00009241
pubchem_cid: 158619
smiles: CC(C)(C)c1cc(CCC(O)=O)cc(c1O)-n1nc2ccccc2n1
inchi:
InChI=1S/C19H21N3O3/c1-19(2,3)13-10-12(8-9-17(23)24)11-16(18(13)25)22-20-14-6-4-5-7-15(14)21-22/h4-7,10-11,25H,8-9H2,1-3H3,(H,23,24)


name: N-(3-(6-Methoxy-2-benzothiazolyl)-2-oxo-2H-1-benzopyran-7-yl)benzenesulphonamide
cas: 84271-53-4
chemspiderid: 17333678
dtxsid: DTXSID10233221
formula: C23H16N2O5S2
inchikey: ANCBQOCCNJLKDZ-UHFFFAOYSA-N
norman_susdat_id: NS00038481
pubchem_cid: 16205473
smiles: COc1cc2c(cc1)nc(s2)c1cc2c(oc1=O)cc(NS(=O)(=O)c1ccccc1)cc2
inchi:
InChI=1S/C23H16N2O5S2/c1-29-16-9-10-19-21(13-16)31-22(24-19)18-11-14-7-8-15(12-20(14)30-23(18)26)25-32(27,28)17-5-3-2-4-6-17/h2-13,25H,1H3


name: 4,4'-carbonimidoylbis[N,N-diethylaniline] acetate
cas: 84282-03-1
formula: C21H29N3.C2H4O2
inchikey: QXMJDYCIJYZKQH-UHFFFAOYSA-N
norman_susdat_id: NS00090010
smiles: CCN(CC)c1ccc(cc1)C(=N)c2ccc(cc2)N(CC)CC.CC(=O)O
inchi:
InChI=1/C21H29N3.C2H4O2/c1-5-23(6-2)19-13-9-17(10-14-19)21(22)18-11-15-20(16-12-18)24(7-3)8-4;1-2(3)4/h9-16,22H,5-8H2,1-4H3;1H3,(H,3,4)


name: 2'-(2,4-Dichlorobenzoyl)-1-naphthohydrazide
cas: 84282-10-0
chemspiderid: 65546
dtxsid: DTXSID30233228
formula: C18H12Cl2N2O2
inchikey: DHOBCUSQSGBXCT-UHFFFAOYSA-N
norman_susdat_id: NS00038484
pubchem_cid: 72701
smiles: Clc1cc(Cl)c(cc1)C(=O)NNC(=O)c1c2ccccc2ccc1
inchi:
InChI=1S/C18H12Cl2N2O2/c19-12-8-9-15(16(20)10-12)18(24)22-21-17(23)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,21,23)(H,22,24)


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-serine, compound with piperidine (1:1)
cas: 84282-12-2
dtxsid: DTXSID90233229
formula: C15H18N2O5S
inchikey: PMLYLUHIMARDID-YDALLXLXSA-N
norman_susdat_id: NS00058899
pubchem_cid: 598788
smiles: O=C(O)C(NS(=O)(=O)C1=CC=CC=2C1=CC=CC2N(C)C)CO.N1CCCCC1
inchi:
InChI=1/C15H18N2O5S.C5H11N/c1-17(2)13-7-3-6-11-10(13)5-4-8-14(11)23(21,22)16-12(9-18)15(19)20;1-2-4-6-5-3-1/h3-8,12,16,18H,9H2,1-2H3,(H,19,20);6H,1-5H2


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-threonine, compound with piperidine (1:1)
cas: 84282-14-4
dtxsid: DTXSID00233230
formula: C16H20N2O5S
inchikey: BOLRKZDBAWTVSN-GWXPYHJSSA-N
norman_susdat_id: NS00058900
pubchem_cid: 631771
smiles: O=C(O)C(NS(=O)(=O)C1=CC=CC=2C1=CC=CC2N(C)C)C(O)C.N1CCCCC1
inchi:
InChI=1/C16H20N2O5S.C5H11N/c1-10(19)15(16(20)21)17-24(22,23)14-9-5-6-11-12(14)7-4-8-13(11)18(2)3;1-2-4-6-5-3-1/h4-10,15,17,19H,1-3H3,(H,20,21);6H,1-5H2


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-tryptophan, compound with piperidine (1:1)
cas: 84282-15-5
dtxsid: DTXSID60233231
formula: C23H23N3O4S
inchikey: XWVQVPLUXCHVMT-BDQAORGHSA-N
norman_susdat_id: NS00058901
pubchem_cid: 44151679
smiles: O=C(O)C(NS(=O)(=O)C1=CC=CC=2C1=CC=CC2N(C)C)CC3=CNC=4C=CC=CC43.N1CCCCC1
inchi:
InChI=1/C23H23N3O4S.C5H11N/c1-26(2)21-11-5-9-18-17(21)8-6-12-22(18)31(29,30)25-20(23(27)28)13-15-14-24-19-10-4-3-7-16(15)19;1-2-4-6-5-3-1/h3-12,14,20,24-25H,13H2,1-2H3,(H,27,28);6H,1-5H2


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-valine, compound with piperidine (1:1)
cas: 84282-17-7
dtxsid: DTXSID20233232
formula: C17H22N2O4S
inchikey: OSSMYKCPNFDDJX-NTISSMGPSA-N
norman_susdat_id: NS00058888
pubchem_cid: 44147618
smiles: O=C(O)C(NS(=O)(=O)C1=CC=CC=2C1=CC=CC2N(C)C)C(C)C.N1CCCCC1
inchi:
InChI=1/C17H22N2O4S.C5H11N/c1-11(2)16(17(20)21)18-24(22,23)15-10-6-7-12-13(15)8-5-9-14(12)19(3)4;1-2-4-6-5-3-1/h5-11,16,18H,1-4H3,(H,20,21);6H,1-5H2


name: Lauric acid, compound with dibutylamine (1:1)
cas: 84282-25-7
formula: C12H24O2.C8H19N
inchikey: UENOZSPHFYUZSC-UHFFFAOYSA-N
norman_susdat_id: NS00090941
smiles: CCCCCCCCCCCC(=O)O.CCCCNCCCC
inchi:
InChI=1/C12H24O2.C8H19N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-5-7-9-8-6-4-2/h2-11H2,1H3,(H,13,14);9H,3-8H2,1-2H3


name: 1-[2-[[4-[(2,5-dichlorophenyl)azo]phenyl]ethylamino]ethyl]pyridinium tetrachlorozincate (2:1)
cas: 84282-31-5
formula: C21H21Cl2N4
inchikey: WMAHHJFSFLTOAB-UHFFFAOYSA-J
norman_susdat_id: NS00060835
pubchem_cid: 44147888
inchi:
InChI=1/2C21H21Cl2N4.4ClH.Zn/c2*1-2-27(15-14-26-12-4-3-5-13-26)19-9-7-18(8-10-19)24-25-21-16-17(22)6-11-20(21)23;;;;;/h2*3-13,16H,2,14-15H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C21H21Cl2N4.Cl4Zn/c2*1-2-27(15-14-26-12-4-3-5-13-26)19-9-7-18(8-10-19)24-25-21-16-17(22)6-11-20(21)23;1-5(2,3)4/h2*3-13,16H,2,14-15H2,1H3;/q2*+1;-2

smiles:
ClC1=CC=C(Cl)C(N=NC2=CC=C(C=C2)N(CC)CC[N+]=3C=CC=CC3)=C1.ClC1=CC=C(Cl)C(N=NC2=CC=C(C=C2)N(CC)CC[N+]=3C=CC=CC3)=C1.Cl[Zn-2](Cl)(Cl)Cl


name: 2,6-dimethyl-4-(1-naphthyl)pyrylium hexafluoroarsenate
cas: 84282-36-0
dtxsid: DTXSID80233238
formula: C17H15O
inchikey: KIXLJKDDPCLKJS-UHFFFAOYSA-N
norman_susdat_id: NS00060837
pubchem_cid: 44146730
smiles: F[As-](F)(F)(F)(F)F.[O+]=1C(=CC(=CC1C)C=2C=CC=C3C=CC=CC32)C
inchi:
InChI=1/C17H15O.AsF6/c1-12-10-15(11-13(2)18-12)17-9-5-7-14-6-3-4-8-16(14)17;2-1(3,4,5,6)7/h3-11H,1-2H3;/q+1;-1


name: 4-cyclohexyl-2,6-dimethylpyrylium hexafluorophosphate
cas: 84282-38-2
dtxsid: DTXSID40233239
formula: C13H19O
inchikey: ODUSIOUBYFAULN-UHFFFAOYSA-N
norman_susdat_id: NS00060375
pubchem_cid: 16205475
smiles: F[P-](F)(F)(F)(F)F.[O+]=1C(=CC(=CC1C)C2CCCCC2)C
inchi:
InChI=1/C13H19O.F6P/c1-10-8-13(9-11(2)14-10)12-6-4-3-5-7-12;1-7(2,3,4,5)6/h8-9,12H,3-7H2,1-2H3;/q+1;-1


name: 2,6-dimethyl-4-(1-naphthyl)pyrylium hexafluorophosphate
cas: 84282-39-3
formula: C17H15O.F6P
inchikey: JJBYJVSAKYUORC-UHFFFAOYSA-N
norman_susdat_id: NS00090534
smiles: Cc1cc(cc(C)[o+]1)c2cccc3ccccc23.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C17H15O.F6P/c1-12-10-15(11-13(2)18-12)17-9-5-7-14-6-3-4-8-16(14)17;1-7(2,3,4,5)6/h3-11H,1-2H3;/q+1;-1


name: 2'-(4-Bromobenzoyl)-1-naphthohydrazide
cas: 84282-40-6
chemspiderid: 87346
dtxsid: DTXSID10233241
formula: C18H13Br1N2O2
inchikey: PXVSILKUOOKWFV-UHFFFAOYSA-N
norman_susdat_id: NS00038488
pubchem_cid: 96742
smiles: Brc1ccc(cc1)C(=O)NNC(=O)c1c2ccccc2ccc1
inchi:
InChI=1S/C18H13BrN2O2/c19-14-10-8-13(9-11-14)17(22)20-21-18(23)16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H,20,22)(H,21,23)


name: 2'-(3-Bromobenzoyl)-2-naphthohydrazide
cas: 84282-41-7
chemspiderid: 87345
dtxsid: DTXSID70233242
formula: C18H13Br1N2O2
inchikey: SREIGOZTASQVSC-UHFFFAOYSA-N
norman_susdat_id: NS00038489
pubchem_cid: 96741
smiles: Brc1cccc(c1)C(=O)NNC(=O)c1ccc2ccccc2c1
inchi:
InChI=1S/C18H13BrN2O2/c19-16-7-3-6-14(11-16)17(22)20-21-18(23)15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,20,22)(H,21,23)


name: 2-[3,4-bis(acetoxy)phenyl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triyl triacetate
cas: 84282-42-8
dtxsid: DTXSID301004591
formula: C25H24O11
inchikey: BKYWAYNSDFXIPL-UHFFFAOYSA-N
norman_susdat_id: NS00060857
pubchem_cid: 3363314
smiles: O=C(OC=1C=C(OC(=O)C)C2=C(OC(C3=CC=C(OC(=O)C)C(OC(=O)C)=C3)C(OC(=O)C)C2)C1)C
inchi:
InChI=1/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3


cas: 84285-28-9
formula: C48H59N4O11S3
inchikey: CFCNSPRNIQVZPZ-UHFFFAOYSA-N
norman_susdat_id: NS00060859
pubchem_cid: 135570489
name:
3-[[1-(4,5-dimethyl-3,6-dioxo-2-propylcyclohexa-1,4-dien-1-yl)tetradecyl]sulphonyl]-N-[5-hydroxy-8-[[2-(methylsulphonyl)-4-nitrophenyl]azo]-1-naphthyl]benzenesulphonamide

inchi:
InChI=1/C48H58N4O11S3/c1-6-8-9-10-11-12-13-14-15-16-17-25-43(46-38(20-7-2)47(54)32(3)33(4)48(46)55)65(60,61)35-21-18-22-36(31-35)66(62,63)51-41-24-19-23-37-42(53)29-28-40(45(37)41)50-49-39-27-26-34(52(56)57)30-44(39)64(5,58)59/h18-19,21-24,26-31,43,51,53H,6-17,20,25H2,1-5H3

smiles:
O=C1C(=C(C(=O)C(=C1CCC)C(CCCCCCCCCCCCC)S(=O)(=O)C=2C=CC=C(C2)S(=O)(=O)NC3=CC=CC=4C(O)=CC=C(N=NC5=CC=C(C=C5S(=O)(=O)C)[N+](=O)[O-])C34)C)C


cas: 84297-66-5
dtxsid: DTXSID701004600
formula: C21H8Cl12O5S
inchikey: QMMVSTYWERYNTC-UHFFFAOYSA-L
norman_susdat_id: NS00060921
pubchem_cid: 430297
name:
Magnesium 1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-sulphonato-1,4:5,8-dimethanotriphenylene-10-carboxylate

inchi:
InChI=1/C21H8Cl12O5S.Mg/c22-11-13(24)18(28)9-7(16(11,26)20(18,30)31)3-1-5(15(34)35)6(39(36,37)38)2-4(3)8-10(9)19(29)14(25)12(23)17(8,27)21(19,32)33;/h1-2,7-10H,(H,34,35)(H,36,37,38);/q;+2/p-2

smiles:
[Mg+2].O=C([O-])C=1C=C2C(=CC1S(=O)(=O)[O-])C3C(C4C2C5(Cl)C(Cl)=C(Cl)C4(Cl)C5(Cl)Cl)C6(Cl)C(Cl)=C(Cl)C3(Cl)C6(Cl)Cl


name: Bisphenol Z
cas: 843-55-0
chebiid: CHEBI:165198
chemspiderid: 202599
dtxsid: DTXSID4047963
formula: C18H20O2
inchikey: SDDLEVPIDBLVHC-UHFFFAOYSA-N
norman_susdat_id: NS00014633
pubchem_cid: 232446
smiles: Oc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)O
inchi:
InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2


name: 4-cyclohexyl-2,6-dimethylpyrylium hexafluoroarsenate
cas: 84304-16-5
formula: C13H19O.AsF6
inchikey: GZMBRQNEYWJLSI-UHFFFAOYSA-N
norman_susdat_id: NS00090502
smiles: Cc1cc(cc(C)[o+]1)C2CCCCC2.F[As-](F)(F)(F)(F)F
inchi:
InChI=1/C13H19O.AsF6/c1-10-8-13(9-11(2)14-10)12-6-4-3-5-7-12;2-1(3,4,5,6)7/h8-9,12H,3-7H2,1-2H3;/q+1;-1


cas: 84304-19-8
formula: C48H62N4O7S
inchikey: QCDCGFUCERJMNZ-UHFFFAOYSA-N
norman_susdat_id: NS00062076
pubchem_cid: 44145888
name:
4-[[5-[[1-[4'-(hexadecyloxy)-3,6-dihydroxy-5-methyl[1,1'-biphenyl]-2-yl]ethyl]sulphonyl]-2-methoxyphenyl]azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one

inchi:
InChI=1/C48H62N4O7S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-59-39-27-25-37(26-28-39)45-44(42(53)32-34(2)47(45)54)36(4)60(56,57)40-29-30-43(58-5)41(33-40)49-50-46-35(3)51-52(48(46)55)38-23-20-19-21-24-38/h19-21,23-30,32-33,36,46,53-54H,6-18,22,31H2,1-5H3

smiles:
O=C1N(N=C(C)C1N=NC2=CC(=CC=C2OC)S(=O)(=O)C(C3=C(O)C=C(C(O)=C3C=4C=CC(OCCCCCCCCCCCCCCCC)=CC4)C)C)C=5C=CC=CC5


cas: 84304-21-2
formula: C27H27N3O8S2
inchikey: OZBGEDSHPQAEBF-UHFFFAOYSA-N
norman_susdat_id: NS00062077
pubchem_cid: NA
smiles: O=C(OCC(=O)C)CN1C(=S)N(C(=O)C1=CC=C2OC=3C=CC=CC3N2CCCCS(=O)(=O)[O-])C=4C=CC=CC4.CC[NH+](CC)CC
name:
Triethylammonium C-2-oxopropyl 4-oxo-3-phenyl-5-[[3-(4-sulphonatobutyl)benzoxazol-2(3H)-ylidene]ethylidene]-2-thioxoimidazolidine-1-acetate

inchi:
InChI=1/C27H27N3O8S2.C6H15N/c1-19(31)18-37-25(32)17-29-22(26(33)30(27(29)39)20-9-3-2-4-10-20)13-14-24-28(15-7-8-16-40(34,35)36)21-11-5-6-12-23(21)38-24;1-4-7(5-2)6-3/h2-6,9-14H,7-8,15-18H2,1H3,(H,34,35,36);4-6H2,1-3H3


name: Diammonium 2,2'-[1,2-ethanediylbis(iminocarbonyl)]bisbenzoate
cas: 84308-52-1
formula: C18H16N2O6.2H3N
inchikey: FGAQRBQPHXADBJ-UHFFFAOYSA-N
norman_susdat_id: NS00090954
smiles: [NH4+].[NH4+].[O-]C(=O)c1ccccc1C(=O)NCCNC(=O)c2ccccc2C(=O)[O-]
inchi:
InChI=1/C18H16N2O6.2H3N/c21-15(11-5-1-3-7-13(11)17(23)24)19-9-10-20-16(22)12-6-2-4-8-14(12)18(25)26;;/h1-8H,9-10H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26);2*1H3


name: Octacosyloxirane
cas: 84322-84-9
dtxsid: DTXSID901004618
formula: C30H60O
inchikey: RTUMGNFSOFMUTE-UHFFFAOYSA-N
norman_susdat_id: NS00062099
pubchem_cid: 5743830
smiles: O1CC1CCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C30H60O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-29-31-30/h30H,2-29H2,1H3


name: N2-benzoyl-O-methyl-L-arginine hydrogen carbonate
cas: 84332-93-4
formula: C14H20N4O3.CH2O3
inchikey: JYDGTEAWFBDILR-MERQFXBCSA-N
norman_susdat_id: NS00090294
smiles: COC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1.OC(=O)O
inchi:
InChI=1/C14H20N4O3.CH2O3/c1-21-13(20)11(8-5-9-17-14(15)16)18-12(19)10-6-3-2-4-7-10;2-1(3)4/h2-4,6-7,11H,5,8-9H2,1H3,(H,18,19)(H4,15,16,17);(H2,2,3,4)


name: Diethylammonium 5-hydroxy-1H-indole-3-acetate
cas: 84332-94-5
formula: C10H9NO3.C4H11N
inchikey: KKOLPWAHCOUOMP-UHFFFAOYSA-N
norman_susdat_id: NS00090295
smiles: CC[NH2+]CC.Oc1ccc2[nH]cc(CC(=O)[O-])c2c1
inchi:
InChI=1/C10H9NO3.C4H11N/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14;1-3-5-4-2/h1-2,4-5,11-12H,3H2,(H,13,14);5H,3-4H2,1-2H3


name: Tridodecyl 2,2',2''-[(octylstannylidyne)tris(thio)]triacetate
cas: 84332-95-6
dtxsid: DTXSID60233296
formula: C50H98O6S3Sn
inchikey: BQNOOSPILDHFSI-UHFFFAOYSA-K
norman_susdat_id: NS00060435
pubchem_cid: 44144980
smiles: O=C(OCCCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCCCC)CCCCCCCC
inchi:
InChI=1/3C14H28O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;1-3-5-7-8-6-4-2;/h3*17H,2-13H2,1H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC50H98O6S3Sn/c1-5-9-13-17-21-24-27-30-33-37-41-54-48(51)45-57-60(44-40-36-20-16-12-8-4,58-46-49(52)55-42-38-34-31-28-25-22-18-14-10-6-2)59-47-50(53)56-43-39-35-32-29-26-23-19-15-11-7-3/h5-47H2,1-4H3


name: 2-ethylhexyl 4-[[dibutyl(dodecylthio)stannyl]oxy]-4-oxoisocrotonate
cas: 84332-96-7
formula: C32H62O4SSn
inchikey: XXCJOZIWNCFURY-LIIRSGIESA-L
norman_susdat_id: NS00062100
pubchem_cid: 57354232
smiles: O=C(OCC(CC)CCCC)C=CC(=O)O[Sn](SCCCCCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/C12H20O4.C12H26S.2C4H9.Sn/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3-4-2;/h7-8,10H,3-6,9H2,1-2H3,(H,13,14);13H,2-12H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC32H62O4SSn/c1-6-11-15-16-17-18-19-20-21-22-26-37-38(27-13-8-3,28-14-9-4)36-32(34)25-24-31(33)35-29-30(10-5)23-12-7-2/h24-25,30H,6-23,26-29H2,1-5H3


cas: 84332-97-8
formula: C34H60O8Sn
inchikey: PTENHSHTHLULME-UHFFFAOYSA-L
norman_susdat_id: NS00061066
pubchem_cid: 53424923
smiles: O=C(OCCC(C)CC(C)(C)C)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCC(C)CC(C)(C)C)(CCCC)CCCC
name:
3,5,5-trimethylhexyl 6,6-dibutyl-15,17,17-trimethyl-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctadeca-2,9-dienoate

inchi:
InChI=1/2C13H22O4.2C4H9.Sn/c2*1-10(9-13(2,3)4)7-8-17-12(16)6-5-11(14)15;2*1-3-4-2;/h2*5-6,10H,7-9H2,1-4H3,(H,14,15);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC34H60O8Sn/c1-11-13-23-43(24-14-12-2,41-31(37)17-15-29(35)39-21-19-27(3)25-33(5,6)7)42-32(38)18-16-30(36)40-22-20-28(4)26-34(8,9)10/h15-18,27-28H,11-14,19-26H2,1-10H3


name: 2-ethylhexyl 4,4-bis(3-butoxy-3-oxopropyl)-10-ethyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate
cas: 84332-98-9
formula: C34H64O8S2Sn
inchikey: DTRWJNRIAUTQRZ-UHFFFAOYSA-L
norman_susdat_id: NS00060923
pubchem_cid: NA
smiles: O=C(OCC(CC)CCCC)CS[Sn](SCC(=O)OCC(CC)CCCC)(CCC(=O)OCCCC)CCC(=O)OCCCC
inchi:
InChI=1/2C10H20O2S.2C7H13O2.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;2*1-3-5-6-9-7(8)4-2;/h2*9,13H,3-8H2,1-2H3;2*2-6H2,1H3;/q;;;;+2/p-2/rC34H64O8S2Sn/c1-7-13-17-29(11-5)25-41-33(37)27-43-45(23-19-31(35)39-21-15-9-3,24-20-32(36)40-22-16-10-4)44-28-34(38)42-26-30(12-6)18-14-8-2/h29-30H,7-28H2,1-6H3


name: 4-[bis(p-hydroxyphenyl)methylene]cyclohexa-2,5-dien-1-one, disodium salt
cas: 84332-99-0
formula: C19H14O3.2Na
inchikey: FVDLPGJOSQQTMY-UHFFFAOYSA-N
norman_susdat_id: NS00090503
smiles: [Na+].[Na+].Oc1ccc(cc1)C(=C2C=CC(=O)C=C2)c3ccc(O)cc3
inchi:
InChI=1/C19H14O3.2Na/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;;/h1-12,20-21H;;/q;2*+1


name: N-benzyl-2-[[3-chloro-4-(diethylamino)phenyl]azo]-3-oxobutyramide
cas: 84341-97-9
formula: C21H25ClN4O2
inchikey: DMOJCVGCXIKKJL-UHFFFAOYSA-N
norman_susdat_id: NS00060436
pubchem_cid: 3019843
smiles: O=C(NCC=1C=CC=CC1)C(N=NC2=CC=C(C(Cl)=C2)N(CC)CC)C(=O)C
inchi:
InChI=1/C21H25ClN4O2/c1-4-26(5-2)19-12-11-17(13-18(19)22)24-25-20(15(3)27)21(28)23-14-16-9-7-6-8-10-16/h6-13,20H,4-5,14H2,1-3H3,(H,23,28)


cas: 84360-89-4
formula: C48H60N6O8S2
inchikey: RRTWOLVAILJHDL-UHFFFAOYSA-N
norman_susdat_id: NS00062101
pubchem_cid: 3019844
name:
4-[[4-[[[4-[[1-(4,5-dimethyl-3,6-dioxo-2-propyl-1,4-cyclohexadien-1-yl)tetradecyl]sulphonyl]phenyl]amino]sulphonyl]phenyl]azo]-4,5-dihydro-N-methyl-5-oxo-1-phenyl-1H-pyrazole-3-carboxamide

inchi:
InChI=1/C48H60N6O8S2/c1-6-8-9-10-11-12-13-14-15-16-20-24-41(42-40(21-7-2)45(55)33(3)34(4)46(42)56)63(59,60)38-29-27-36(28-30-38)53-64(61,62)39-31-25-35(26-32-39)50-51-44-43(47(57)49-5)52-54(48(44)58)37-22-18-17-19-23-37/h17-19,22-23,25-32,41,44,53H,6-16,20-21,24H2,1-5H3,(H,49,57)

smiles:
O=C(NC)C1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)C(C=4C(=O)C(=C(C(=O)C4CCC)C)C)CCCCCCCCCCCCC)C=5C=CC=CC5


cas: 84360-90-7
formula: C47H67N5O9S3
inchikey: RGVSARPLXBIGQG-UHFFFAOYSA-N
norman_susdat_id: NS00062102
pubchem_cid: 3019845
name:
N-(tert-butyl)-5-[[(dimethylamino)sulphonyl]amino]-4-[[4-[[1-(4,5-dimethyl-3,6-dioxo-2-propylcyclohexa-1,4-dien-1-yl)tetradecyl]sulphonyl]phenyl]azo]-1-hydroxynaphthalene-2-sulphonamide

inchi:
InChI=1/C47H67N5O9S3/c1-10-12-13-14-15-16-17-18-19-20-21-26-40(43-36(23-11-2)44(53)32(3)33(4)45(43)54)62(56,57)35-29-27-34(28-30-35)48-49-39-31-41(63(58,59)51-47(5,6)7)46(55)37-24-22-25-38(42(37)39)50-64(60,61)52(8)9/h22,24-25,27-31,40,50-51,55H,10-21,23,26H2,1-9H3

smiles:
O=C1C(=C(C(=O)C(=C1CCC)C(CCCCCCCCCCCCC)S(=O)(=O)C2=CC=C(N=NC3=CC(=C(O)C=4C=CC=C(NS(=O)(=O)N(C)C)C34)S(=O)(=O)NC(C)(C)C)C=C2)C)C


cas: 84370-78-5
formula: C62H120O8S2Sn
inchikey: RLUQNBRMDCXGLH-UHFFFAOYSA-L
norman_susdat_id: NS00061067
pubchem_cid: NA
smiles: O=C(OCC(CC)CCCC)CS[Sn](SCC(=O)OCC(CC)CCCC)(CCC(=O)OCCCCCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCCCCCC
name:
2-ethylhexyl 10-ethyl-4,4-bis[3-(octadecyloxy)-3-oxopropyl]-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate

inchi:
InChI=1/2C21H41O2.2C10H20O2S.Sn/c2*1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2;2*1-3-5-6-9(4-2)7-12-10(11)8-13;/h2*2-20H2,1H3;2*9,13H,3-8H2,1-2H3;/q;;;;+2/p-2/rC62H120O8S2Sn/c1-7-13-17-19-21-23-25-27-29-31-33-35-37-39-41-43-49-67-59(63)47-51-73(71-55-61(65)69-53-57(11-5)45-15-9-3,72-56-62(66)70-54-58(12-6)46-16-10-4)52-48-60(64)68-50-44-42-40-38-36-34-32-30-28-26-24-22-20-18-14-8-2/h57-58H,7-56H2,1-6H3


name: 1,3-Propanediyl disalicylate
cas: 84370-82-1
chemspiderid: 5821979
dtxsid: DTXSID50233346
formula: C17H16O6
inchikey: RXRCNOIPYFJQPE-UHFFFAOYSA-N
norman_susdat_id: NS00038494
pubchem_cid: 7503587
smiles: Oc1ccccc1C(=O)OCCCOC(=O)c1ccccc1O
inchi:
InChI=1S/C17H16O6/c18-14-8-3-1-6-12(14)16(20)22-10-5-11-23-17(21)13-7-2-4-9-15(13)19/h1-4,6-9,18-19H,5,10-11H2


name: Trisodium 2-propoxypropane-1,2,3-tricarboxylate
cas: 84370-85-4
dtxsid: DTXSID70233348
formula: C9H14O7
inchikey: MGDULFZSNSEMJZ-UHFFFAOYSA-K
norman_susdat_id: NS00060467
pubchem_cid: 11970823
smiles: [Na+].[Na+].[Na+].O=C([O-])CC(OCCC)(C(=O)[O-])CC(=O)[O-]
inchi:
InChI=1/C9H14O7.3Na/c1-2-3-16-9(8(14)15,4-6(10)11)5-7(12)13;;;/h2-5H2,1H3,(H,10,11)(H,12,13)(H,14,15);;;/q;3*+1/p-3


name: Phenyl 3,3-diphenylpropionate
cas: 84370-88-7
chemspiderid: 2286918
dtxsid: DTXSID40233350
formula: C21H18O2
inchikey: POCUQRZLGDCGBV-UHFFFAOYSA-N
norman_susdat_id: NS00038497
pubchem_cid: 3019849
smiles: O=C(CC(c1ccccc1)c1ccccc1)Oc1ccccc1
inchi:
InChI=1S/C21H18O2/c22-21(23-19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,20H,16H2


cas: 84371-64-2
chemspiderid: 3518117
formula: C31H41N1O4
inchikey: RIJGHAHZKTWZNK-UHFFFAOYSA-N
norman_susdat_id: NS00002788
pubchem_cid: 4312812
smiles: CC#CC1(O)CCC2C3CCC4(O)CC5(CCC4=C3C(CC12C)c1ccc(cc1)N(C)C)OCCO5
name:
Estr-9-en-3-one, 11-[4-(dimethylamino)phenyl]-5,17-dihydroxy-17-(1-propynyl)-cyclic 1,2-ethanediyl acetal,(5a,11b,17b)-

inchi:
InChI=1S/C31H41NO4/c1-5-13-30(34)15-11-25-23-10-14-29(33)20-31(35-17-18-36-31)16-12-26(29)27(23)24(19-28(25,30)2)21-6-8-22(9-7-21)32(3)4/h6-9,23-25,33-34H,10-12,14-20H2,1-4H3


name: Mifepristone
cas: 84371-65-3
chebiid: CHEBI:91715
chemspiderid: 49889
dtxsid: DTXSID5023322
formula: C29H35N1O2
inchikey: VKHAHZOOUSRJNA-UHFFFAOYSA-N
norman_susdat_id: NS00014348
pubchem_cid: 4196
smiles: CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c5ccc(cc5)N(C)C
inchi:
InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1


name: 3',6'-Bis((2-ethyl-6-methylphenyl)amino)spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
cas: 84373-12-6
chemspiderid: 21164141
dtxsid: DTXSID60233352
formula: C38H34N2O3
inchikey: QZLIQZIVVVPYRA-UHFFFAOYSA-N
norman_susdat_id: NS00038498
pubchem_cid: 44151033
smiles: CCc1cccc(C)c1Nc1cc2c(cc1)C1(OC(=O)c3ccccc13)c1c(O2)cc(Nc2c(C)cccc2CC)cc1
inchi:
InChI=1S/C38H34N2O3/c1-5-25-13-9-11-23(3)35(25)39-27-17-19-31-33(21-27)42-34-22-28(40-36-24(4)12-10-14-26(36)6-2)18-20-32(34)38(31)30-16-8-7-15-29(30)37(41)43-38/h7-22,39-40H,5-6H2,1-4H3


name: N-[5-(allylamino)-2-[(2-chloro-4,6-dinitrophenyl)azo]-4-methoxyphenyl]acetamide
cas: 84385-44-4
formula: C18H19ClN6O6
inchikey: OZNDVUMCDNKAGE-UHFFFAOYSA-N
norman_susdat_id: NS00062157
pubchem_cid: 3019850
smiles: O=C(NC=1C=C(NCC=C)C(OC)=CC1N=NC2=C(Cl)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C
inchi:
InChI=1/C18H17ClN6O6/c1-4-5-20-15-8-13(21-10(2)26)14(9-17(15)31-3)22-23-18-12(19)6-11(24(27)28)7-16(18)25(29)30/h4,6-9,20H,1,5H2,2-3H3,(H,21,26)


name: Lead bis(p-octylphenolate)
cas: 84394-98-9
formula: C14H22O.1/2Pb
inchikey: JLYATELDAHVHGW-UHFFFAOYSA-L
norman_susdat_id: NS00090569
smiles: [Pb+2].[O-]c1ccc(CCCCCCCC)cc1.CCCCCCCCc1ccc([O-])cc1
inchi:
InChI=1/2C14H22O.Pb.2H/c2*1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13;;;/h2*9-12,15H,2-8H2,1H3;;;/q;;+4;;/p-2/r2C14H22O.H2Pb/c2*1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13;/h2*9-12,15H,2-8H2,1H3;1H2/q;;+4/p-2


name: 2-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-(phenylazo)thiophene-3-carbonitrile
cas: 84425-43-4
formula: C22H19N7S
inchikey: CUQJFZXXXTYBNZ-UHFFFAOYSA-N
norman_susdat_id: NS00060492
pubchem_cid: 14178257
smiles: N#CC=1C=C(N=NC=2C=CC=CC2)SC1N=NC3=CC=C(C=C3)N(CC)CCC#N
inchi:
InChI=1/C22H19N7S/c1-2-29(14-6-13-23)20-11-9-19(10-12-20)26-28-22-17(16-24)15-21(30-22)27-25-18-7-4-3-5-8-18/h3-5,7-12,15H,2,6,14H2,1H3


name: (((9-Oxo-9H-thioxanthen-2-yl)methyl)thio)acetic acid
cas: 84434-06-0
chemspiderid: 2286923
dtxsid: DTXSID20233398
formula: C16H12O3S2
inchikey: OAXDQBFKSFMEIN-UHFFFAOYSA-N
norman_susdat_id: NS00038505
pubchem_cid: 3019854
smiles: OC(=O)CSCc1cc2c(sc3c(cccc3)c2=O)cc1
inchi:
InChI=1S/C16H12O3S2/c17-15(18)9-20-8-10-5-6-14-12(7-10)16(19)11-3-1-2-4-13(11)21-14/h1-7H,8-9H2,(H,17,18)


name: 2,2'-[carbonylbis(4,1-phenylenethio)]bis(acetic) acid
cas: 84434-07-1
formula: C17H14O5S2
inchikey: RYMGLXBJEKOMPQ-UHFFFAOYSA-N
norman_susdat_id: NS00060717
pubchem_cid: 91997511
smiles: O=C(O)CSC1=CC=C(C=C1)C(=O)C2=CC=C(SCC(=O)O)C=C2
inchi:
InChI=1/C17H14O5S2/c18-15(19)9-23-13-5-1-11(2-6-13)17(22)12-3-7-14(8-4-12)24-10-16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)


name: 1-[[4-(oxophenylacetyl)phenyl]methyl]pyridinium bromide
cas: 84434-08-2
dtxsid: DTXSID201004693
formula: C20H16NO2
inchikey: SWFRNIFNAUTMHU-UHFFFAOYSA-M
norman_susdat_id: NS00060820
pubchem_cid: 44148939
smiles: [Br-].O=C(C=1C=CC=CC1)C(=O)C2=CC=C(C=C2)C[N+]=3C=CC=CC3
inchi:
InChI=1/C20H16NO2.BrH/c22-19(17-7-3-1-4-8-17)20(23)18-11-9-16(10-12-18)15-21-13-5-2-6-14-21;/h1-14H,15H2;1H/q+1;/p-1


name: 1-[(4-benzoylphenyl)methyl]pyridinium bromide
cas: 84434-09-3
dtxsid: DTXSID901004694
formula: C19H16NO
inchikey: RJVZVOBINMXCGC-UHFFFAOYSA-M
norman_susdat_id: NS00060718
pubchem_cid: 10736817
smiles: [Br-].O=C(C=1C=CC=CC1)C2=CC=C(C=C2)C[N+]=3C=CC=CC3
inchi:
InChI=1/C19H16NO.BrH/c21-19(17-7-3-1-4-8-17)18-11-9-16(10-12-18)15-20-13-5-2-6-14-20;/h1-14H,15H2;1H/q+1;/p-1


name: 3-(2-ammonioethyl)-7-methyl-1H-indolium oxalate
cas: 84434-15-1
formula: C11H14N2.C2H2O4
inchikey: VJQNPAYSYDIOGV-UHFFFAOYSA-N
norman_susdat_id: NS00090206
smiles: Cc1cccc2C(=C[NH+]c12)CC[NH3+].[O-]C(=O)C(=O)[O-]
inchi:
InChI=1/C11H14N2.C2H2O4/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10;3-1(4)2(5)6/h2-4,7,13H,5-6,12H2,1H3;(H,3,4)(H,5,6)


name: N,N,N-triethylanilinium phenylsulphonate
cas: 84434-16-2
formula: C12H20N.C6H5O3S
inchikey: XTHYWQWRORBMLG-UHFFFAOYSA-M
norman_susdat_id: NS00090426
smiles: CC[N+](CC)(CC)c1ccccc1.[O-]S(=O)(=O)c2ccccc2
inchi:
InChI=1/C12H20N.C6H6O3S/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;7-10(8,9)6-4-2-1-3-5-6/h7-11H,4-6H2,1-3H3;1-5H,(H,7,8,9)/q+1;/p-1


name: 1,1-bis[(3,7-dimethyloct-6-enyl)oxy]-2-methylundecane
cas: 84434-21-9
dtxsid: DTXSID701004698
formula: C32H62O2
inchikey: NDLDFKJQTBZQSE-UHFFFAOYSA-N
norman_susdat_id: NS00060823
pubchem_cid: 3019858
smiles: O(CCC(C)CCC=C(C)C)C(OCCC(C)CCC=C(C)C)C(C)CCCCCCCCC
inchi:
InChI=1/C32H62O2/c1-9-10-11-12-13-14-15-22-31(8)32(33-25-23-29(6)20-16-18-27(2)3)34-26-24-30(7)21-17-19-28(4)5/h18-19,29-32H,9-17,20-26H2,1-8H3


cas: 84434-28-6
formula: C41H36N3OS3
inchikey: PPNGMEQPRPNCQT-UHFFFAOYSA-M
norman_susdat_id: NS00061832
pubchem_cid: 53425472
smiles: [I-].O=C1C(SC(C=C2SC(C=3C=CC=CC3)=C(C=4C=CC=CC4)N2CC)=[N+]1CC=C)=C(C=C5SC=6C=CC=CC6N5CC)C=7C=CC=CC7
name:
3-allyl-5-[2-(3-ethylbenzothiazol-2(3H)-ylidene)-1-phenylethylidene]-2-[(3-ethyl-4,5-diphenylthiazol-2(3H)-ylidene)methyl]-4-oxothiazolium iodide

inchi:
InChI=1/C41H36N3OS3.HI/c1-4-26-44-37(28-36-43(6-3)38(30-20-12-8-13-21-30)39(47-36)31-22-14-9-15-23-31)48-40(41(44)45)32(29-18-10-7-11-19-29)27-35-42(5-2)33-24-16-17-25-34(33)46-35;/h4,7-25,27-28H,1,5-6,26H2,2-3H3;1H/q+1;/p-1


name: 3-ethyl-2-[(3-methyl-3H-benzothiazol-2-ylidene)methyl]naphtho[2,1-d]thiazolium toluene-p-sulphonate
cas: 84434-30-0
formula: C22H19N2S2
inchikey: NJFAXGXALHPHCH-UHFFFAOYSA-M
norman_susdat_id: NS00060720
pubchem_cid: 57358847
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.S1C=2C=CC=CC2N(C1=CC=3SC=4C=5C=CC=CC5C=CC4[N+]3CC)C
inchi:
InChI=1/C22H19N2S2.C7H8O3S/c1-3-24-18-13-12-15-8-4-5-9-16(15)22(18)26-21(24)14-20-23(2)17-10-6-7-11-19(17)25-20;1-6-2-4-7(5-3-6)11(8,9)10/h4-14H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


cas: 84434-32-2
formula: C28H26Cl2N3O2
inchikey: VQBUXFUINJEYEI-UHFFFAOYSA-M
norman_susdat_id: NS00060824
pubchem_cid: NA
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.ClC=1C=C2C(=CC1Cl)N(C(=CC=CC=3OC4=CC=C(C=C4[N+]3CC)C=5C=CC=CC5)N2C)CCO
name:
2-[3-[5,6-dichloro-1,3-dihydro-1-(2-hydroxyethyl)-3-methyl-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5-phenylbenzoxazolium toluene-p-sulphonate

inchi:
InChI=1/C28H26Cl2N3O2.C7H8O3S/c1-3-32-25-16-20(19-8-5-4-6-9-19)12-13-26(25)35-28(32)11-7-10-27-31(2)23-17-21(29)22(30)18-24(23)33(27)14-15-34;1-6-2-4-7(5-3-6)11(8,9)10/h4-13,16-18,34H,3,14-15H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


cas: 84434-34-4
dtxsid: DTXSID201004700
formula: C30H28ClN2O2
inchikey: CIPGJJFERNKQAI-UHFFFAOYSA-M
norman_susdat_id: NS00060721
pubchem_cid: NA
smiles: [I-].O=C(OC)C=1C=CC2=C(C1)C(C(C=CC=3C=4C=CC=CC4N(C3C=5C=CC(Cl)=CC5)C)=[N+]2C)(C)C
name:
2-[2-[2-(4-chlorophenyl)-1-methyl-1H-indol-3-yl]vinyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indolium iodide

inchi:
InChI=1/C30H28ClN2O2.HI/c1-30(2)24-18-20(29(34)35-5)12-16-26(24)32(3)27(30)17-15-23-22-8-6-7-9-25(22)33(4)28(23)19-10-13-21(31)14-11-19;/h6-18H,1-5H3;1H/q+1;/p-1


name: 2-[[5-(methoxycarbonyl)-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]-1-methylquinolinium
cas: 84434-35-5
dtxsid: DTXSID10233403
formula: C24H25N2O5S2
inchikey: OGVGWGGXMWGPSC-UHFFFAOYSA-N
norman_susdat_id: NS00061855
pubchem_cid: NA
smiles: O=C(OC)C1=CC=C2SC(=CC=3C=CC=4C=CC=CC4[N+]3C)N(C2=C1)CCCCS(=O)(=O)[O-]
inchi:
InChI=1/C24H24N2O5S2/c1-25-19(11-9-17-7-3-4-8-20(17)25)16-23-26(13-5-6-14-33(28,29)30)21-15-18(24(27)31-2)10-12-22(21)32-23/h3-4,7-12,15-16H,5-6,13-14H2,1-2H3


name: 1,8-Bis((4-(1,1-dimethylethyl)phenyl)thio)-4,5-bis(phenylthio)anthraquinone
cas: 84434-36-6
chemspiderid: 17333691
dtxsid: DTXSID70233404
formula: C46H40O2S4
inchikey: HFKWGVOSNHANEH-UHFFFAOYSA-N
norman_susdat_id: NS00038508
pubchem_cid: 16205487
smiles: CC(C)(C)c1ccc(Sc2c3C(=O)c4c(Sc5ccc(cc5)C(C)(C)C)ccc(Sc5ccccc5)c4C(=O)c3c(Sc3ccccc3)cc2)cc1
inchi:
InChI=1S/C46H40O2S4/c1-45(2,3)29-17-21-33(22-18-29)51-37-27-25-35(49-31-13-9-7-10-14-31)39-41(37)44(48)42-38(52-34-23-19-30(20-24-34)46(4,5)6)28-26-36(40(42)43(39)47)50-32-15-11-8-12-16-32/h7-28H,1-6H3


name: 1,4,5-Tris((4-(1,1-dimethylethyl)phenyl)thio)-8-(phenylthio)anthraquinone
cas: 84434-37-7
chemspiderid: 15004523
dtxsid: DTXSID30233405
formula: C50H48O2S4
inchikey: HGBWYYMBPQTZNS-UHFFFAOYSA-N
norman_susdat_id: NS00038509
pubchem_cid: 16205488
smiles: CC(C)(C)c1ccc(Sc2ccc(Sc3ccc(cc3)C(C)(C)C)c3c2C(=O)c2c(Sc4ccccc4)ccc(Sc4ccc(cc4)C(C)(C)C)c2C3=O)cc1
inchi:
InChI=1S/C50H48O2S4/c1-48(2,3)31-15-21-35(22-16-31)54-39-28-27-38(53-34-13-11-10-12-14-34)42-43(39)47(52)45-41(56-37-25-19-33(20-26-37)50(7,8)9)30-29-40(44(45)46(42)51)55-36-23-17-32(18-24-36)49(4,5)6/h10-30H,1-9H3


name: 1,4,5,8-Tetrakis((4-(1,1-dimethylethyl)phenyl)thio)anthraquinone
cas: 84434-38-8
chemspiderid: 15004525
dtxsid: DTXSID90233406
formula: C54H56O2S4
inchikey: PQCMPESVEIOFCU-UHFFFAOYSA-N
norman_susdat_id: NS00038510
pubchem_cid: 16205489
inchi:
InChI=1S/C54H56O2S4/c1-51(2,3)33-13-21-37(22-14-33)57-41-29-30-42(58-38-23-15-34(16-24-38)52(4,5)6)46-45(41)49(55)47-43(59-39-25-17-35(18-26-39)53(7,8)9)31-32-44(48(47)50(46)56)60-40-27-19-36(20-28-40)54(10,11)12/h13-32H,1-12H3

smiles:
CC(C)(C)c1ccc(Sc2ccc(Sc3ccc(cc3)C(C)(C)C)c3c2C(=O)c2c(Sc4ccc(cc4)C(C)(C)C)ccc(Sc4ccc(cc4)C(C)(C)C)c2C3=O)cc1


name: 5-(phenylazo)toluene-2,4-diamine monoacetate
cas: 84434-41-3
formula: C13H14N4.C2H4O2
inchikey: TWECYHKZAYJTQK-UHFFFAOYSA-N
norman_susdat_id: NS00090463
smiles: CC(O)=O.Cc2cc(N=Nc1ccccc1)c(N)cc2N
inchi:
InChI=1/C13H14N4.C2H4O2/c1-9-7-13(12(15)8-11(9)14)17-16-10-5-3-2-4-6-10;1-2(3)4/h2-8H,14-15H2,1H3;1H3,(H,3,4)


name: 3-(phenylazo)toluene-2,6-diamine monoacetate
cas: 84434-43-5
formula: C13H14N4.C2H4O2
inchikey: JBJHXYMMZWGCIT-UHFFFAOYSA-N
norman_susdat_id: NS00090464
smiles: CC(O)=O.Nc2ccc(N=Nc1ccccc1)c(N)c2C
inchi:
InChI=1/C13H14N4.C2H4O2/c1-9-11(14)7-8-12(13(9)15)17-16-10-5-3-2-4-6-10;1-2(3)4/h2-8H,14-15H2,1H3;1H3,(H,3,4)


name: 5-(o-tolylazo)toluene-2,4-diamine monoacetate
cas: 84434-44-6
formula: C14H16N4.C2H4O2
inchikey: ABIKPSFYFGELKX-UHFFFAOYSA-N
norman_susdat_id: NS00090436
smiles: CC(O)=O.Cc2ccccc2N=Nc1cc(C)c(N)cc1N
inchi:
InChI=1/C14H16N4.C2H4O2/c1-9-5-3-4-6-13(9)17-18-14-7-10(2)11(15)8-12(14)16;1-2(3)4/h3-8H,15-16H2,1-2H3;1H3,(H,3,4)


name: 3-(o-tolylazo)toluene-2,6-diamine monoacetate
cas: 84434-46-8
formula: C14H16N4.C2H4O2
inchikey: UKOFMOZTJCVLDC-UHFFFAOYSA-N
norman_susdat_id: NS00090493
smiles: CC(O)=O.Cc2ccccc2N=Nc1ccc(N)c(C)c1N
inchi:
InChI=1/C14H16N4.C2H4O2/c1-9-5-3-4-6-12(9)17-18-13-8-7-11(15)10(2)14(13)16;1-2(3)4/h3-8H,15-16H2,1-2H3;1H3,(H,3,4)


cas: 84434-47-9
chemspiderid: 2286931
dtxsid: DTXSID50233407
formula: C24H29N3
inchikey: QLHKOYRLMLXSDU-UHFFFAOYSA-N
norman_susdat_id: NS00019541
pubchem_cid: 3019872
smiles: CC(=O)[O-].CNc1ccc(cc1)[C+](c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
name:
(4-((4-(Dimethylamino)phenyl)(4-(methylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium acetate

inchi:
InChI=1S/C24H29N3/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17,24-25H,1-5H3


cas: 84434-48-0
formula: C21H18N4O8S2.2Na
inchikey: IJEBXJPLSURLAE-UHFFFAOYSA-L
norman_susdat_id: NS00090229
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)n4nc(C)c(C=C3C(\C)=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)c4O
name:
Disodium p-[4,5-dihydro-4-[[5-hydroxy-3-methyl-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C21H18N4O8S2.2Na/c1-12-18(20(26)24(22-12)14-3-7-16(8-4-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-5-9-17(10-6-15)35(31,32)33;;/h3-11,26H,1-2H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


cas: 84434-49-1
formula: C33H39ClN8O10S2.2K
inchikey: AKODATABYORSTB-UHFFFAOYSA-L
norman_susdat_id: NS00090446
name:
Dipotassium 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-6-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]benzene-1,3-disulphonate

inchi:
InChI=1/C33H39ClN8O10S2.2K/c1-4-6-7-8-9-10-11-12-20-13-15-21(16-14-20)52-33-38-31(34)37-32(39-33)36-22-17-23(25(54(49,50)51)18-24(22)53(46,47)48)40-41-27-19(3)26(28(35)43)29(44)42(5-2)30(27)45;;/h13-18,45H,4-12H2,1-3H3,(H2,35,43)(H,46,47,48)(H,49,50,51)(H,36,37,38,39);;/q;2*+1/p-2

smiles:
[K+].[K+].O=C4/C(=C(/C)\C(\N=Nc3cc(Nc2nc(Cl)nc(Oc1ccc(CCCCCCCCC)cc1)n2)c(cc3S([O-])(=O)=O)S([O-])(=O)=O)=C(\O)N4CC)C(N)=O


cas: 84434-51-5
formula: C40H30Cl4N14O20S6.6Na
inchikey: LNXCMNGXHAOOOW-UHFFFAOYSA-H
norman_susdat_id: NS00090230
name:
Hexasodium 6,13-dichloro-3,10-bis[[2-[[4-chloro-6-[(2,4-disulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]triphenodioxazine-4,11-disulphonate

inchi:
InChI=1/C40H30Cl4N14O20S6.6Na/c41-25-28-32(78-30-20(50-28)6-8-22(34(30)84(74,75)76)46-10-12-48-38-54-36(44)56-40(58-38)52-18-4-2-16(80(62,63)64)14-24(18)82(68,69)70)26(42)27-31(25)77-29-19(49-27)5-7-21(33(29)83(71,72)73)45-9-11-47-37-53-35(43)55-39(57-37)51-17-3-1-15(79(59,60)61)13-23(17)81(65,66)67;;;;;;/h1-8,13-14,45-46H,9-12H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,47,51,53,55,57)(H2,48,52,54,56,58);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCNc3ccc4N=C5C(=C6Oc7c(ccc(NCCNc8nc(Cl)nc(Nc9ccc(cc9S(=O)(=O)[O-])S(=O)(=O)[O-])n8)c7S(=O)(=O)[O-])N=C6C(=C5Oc4c3S(=O)(=O)[O-])Cl)Cl)n2)c(c1)S(=O)(=O)[O-]


name: 4-Methyl-2-oxo-2H-1-benzopyran-7-yl tetracosanoate
cas: 84434-52-6
chemspiderid: 17333692
dtxsid: DTXSID10233408
formula: C34H54O4
inchikey: BBJLPGKQHTUSCG-UHFFFAOYSA-N
norman_susdat_id: NS00038511
pubchem_cid: 16205490
smiles: CCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1cc2c(cc1)c(C)cc(=O)o2
inchi:
InChI=1S/C34H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33(35)37-30-25-26-31-29(2)27-34(36)38-32(31)28-30/h25-28H,3-24H2,1-2H3


cas: 84434-53-7
formula: C25H23N5O7S2
inchikey: OXSBSDJKOHDMSH-UHFFFAOYSA-L
norman_susdat_id: NS00060903
pubchem_cid: NA
name:
Disodium 7-amino-3-[[2,5-dimethyl-4-[(2-methyl-4-sulphonatophenyl)azo]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C25H23N5O7S2.2Na/c1-13-8-18(38(32,33)34)5-7-20(13)27-28-21-9-15(3)22(10-14(21)2)29-30-24-23(39(35,36)37)12-16-11-17(26)4-6-19(16)25(24)31;;/h4-12,31H,26H2,1-3H3,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C=C(C(N=NC=3C(O)=C4C=CC(N)=CC4=CC3S(=O)(=O)[O-])=CC2C)C)C(=C1)C


cas: 84434-54-8
formula: C22H17Cl2N5O6S2
inchikey: XBDKVDCEXJLDDK-UHFFFAOYSA-M
norman_susdat_id: NS00061937
pubchem_cid: 3019876
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC=CC(=C2)NS(=O)(=O)C=3C=CC=CC3)C4=CC(Cl)=C(C=C4Cl)S(=O)(=O)[O-]
name:
Sodium 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[[3-[(phenylsulphonyl)amino]phenyl]azo]-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C22H17Cl2N5O6S2.Na/c1-13-21(22(30)29(27-13)19-11-18(24)20(12-17(19)23)37(33,34)35)26-25-14-6-5-7-15(10-14)28-36(31,32)16-8-3-2-4-9-16;/h2-12,21,28H,1H3,(H,33,34,35);/q;+1/p-1


cas: 84434-55-9
formula: C44H30Cl2N18O21S5
inchikey: NJGRVENXYJERFL-UHFFFAOYSA-N
norman_susdat_id: NS00060904
pubchem_cid: NA
name:
4,4'-[(2-sulpho-1,4-phenylene)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulpho-3,1-phenylene)azo]]bis[4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic] acid

inchi:
InChI=1/C44H30Cl2N18O21S5/c45-39-51-41(47-18-2-13-28(88(77,78)79)26(15-18)57-59-31-33(37(67)68)61-63(35(31)65)21-4-8-23(9-5-21)86(71,72)73)55-43(52-39)49-20-1-12-25(30(17-20)90(83,84)85)50-44-54-40(46)53-42(56-44)48-19-3-14-29(89(80,81)82)27(16-19)58-60-32-34(38(69)70)62-64(36(32)66)22-6-10-24(11-7-22)87(74,75)76/h1-17,31-32H,(H,67,68)(H,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H2,47,49,51,52,55)(H2,48,50,53,54,56)

smiles:
O=C(O)C1=NN(C(=O)C1N=NC2=CC(=CC=C2S(=O)(=O)O)NC3=NC(Cl)=NC(=N3)NC4=CC=C(NC=5N=C(Cl)N=C(N5)NC6=CC=C(C(N=NC7C(=O)N(N=C7C(=O)O)C8=CC=C(C=C8)S(=O)(=O)O)=C6)S(=O)(=O)O)C(=C4)S(=O)(=O)O)C9=CC=C(C=C9)S(=O)(=O)O


cas: 84434-57-1
formula: C31H24ClN9O9S3
inchikey: VQUVUAWDYNXRIM-UHFFFAOYSA-K
norman_susdat_id: NS00060258
pubchem_cid: NA
name:
Trisodium 3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulphonato-1-naphthyl]azo]-2,5-dimethylphenyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C31H24ClN9O9S3.3Na/c1-15-11-26(16(2)10-25(15)40-38-17-12-22-20(28(13-17)53(48,49)50)4-3-5-27(22)52(45,46)47)41-39-24-9-8-23(34-31-36-29(32)35-30(33)37-31)19-7-6-18(14-21(19)24)51(42,43)44;;;/h3-14H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H3,33,34,35,36,37);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(=CC=C(N=NC3=CC(=C(N=NC=4C=C5C(C=CC=C5S(=O)(=O)[O-])=C(C4)S(=O)(=O)[O-])C=C3C)C)C2C1)NC=6N=C(Cl)N=C(N6)N


cas: 84434-58-2
formula: C33H22ClN9O12S4
inchikey: BFGORUIXPULGPD-UHFFFAOYSA-J
norman_susdat_id: NS00060259
pubchem_cid: NA
name:
Tetrasodium 3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulphonato-1-naphthyl]azo]-7-sulphonato-1-naphthyl]azo]naphthalene-1,5-disulphonate

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

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC3=CC=C(NC=4N=C(Cl)N=C(N4)N)C=5C=CC(=CC35)S(=O)(=O)[O-])=CC=C(N=NC=6C=C7C(C=CC=C7S(=O)(=O)[O-])=C(C6)S(=O)(=O)[O-])C2C1


cas: 84434-59-3
formula: C30H20ClN7O12S3
inchikey: KWTFBQRJPMYKJM-UHFFFAOYSA-N
norman_susdat_id: NS00060287
pubchem_cid: NA
name:
4-[[4-chloro-6-[[8-hydroxy-3,6-disulpho-7-[(1-sulpho-2-naphthyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]benzoic acid

inchi:
InChI=1/C30H20ClN7O12S3/c31-28-34-29(32-17-8-5-15(6-9-17)27(40)41)36-30(35-28)33-21-13-18(51(42,43)44)11-16-12-22(52(45,46)47)24(25(39)23(16)21)38-37-20-10-7-14-3-1-2-4-19(14)26(20)53(48,49)50/h1-13,39H,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,32,33,34,35,36)

smiles:
O=C(O)C1=CC=C(C=C1)NC2=NC(Cl)=NC(=N2)NC3=CC(=CC=4C=C(C(N=NC=5C=CC=6C=CC=CC6C5S(=O)(=O)O)=C(O)C43)S(=O)(=O)O)S(=O)(=O)O


cas: 84434-66-2
dtxsid: DTXSID001004704
formula: C22H23N2OS2
inchikey: HENRQSDRRJLACL-UHFFFAOYSA-M
norman_susdat_id: NS00060780
pubchem_cid: NA
smiles: [Br-].OCC[N+]1=C(SC=2C=CC=CC21)C=C(C=C3SC=4C=CC=CC4N3CC)C
name:
2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)-2-methylprop-1-enyl]-3-(2-hydroxyethyl)benzothiazolium bromide

inchi:
InChI=1/C22H23N2OS2.BrH/c1-3-23-17-8-4-6-10-19(17)26-21(23)14-16(2)15-22-24(12-13-25)18-9-5-7-11-20(18)27-22;/h4-11,14-15,25H,3,12-13H2,1-2H3;1H/q+1;/p-1


name: 4-[(4-aminophenyl)ethylamino]butane-1-sulphonic acid
cas: 84434-67-3
dtxsid: DTXSID701004705
formula: C12H20N2O3S
inchikey: JPGJBDBLHLPCNM-UHFFFAOYSA-N
norman_susdat_id: NS00060907
pubchem_cid: 20488479
smiles: O=S(=O)(O)CCCCN(C1=CC=C(N)C=C1)CC
inchi:
InChI=1/C12H20N2O3S/c1-2-14(9-3-4-10-18(15,16)17)12-7-5-11(13)6-8-12/h5-8H,2-4,9-10,13H2,1H3,(H,15,16,17)


name: (p-dodecylbenzyl)(2-hydroxyethyl)dimethylammonium chloride
cas: 84434-69-5
dtxsid: DTXSID101004707
formula: C23H42NO
inchikey: SLWIQSRFLVLCFD-UHFFFAOYSA-M
norman_susdat_id: NS00060908
pubchem_cid: 3019887
smiles: [Cl-].OCC[N+](C)(C)CC1=CC=C(C=C1)CCCCCCCCCCCC
inchi:
InChI=1/C23H42NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-22-15-17-23(18-16-22)21-24(2,3)19-20-25;/h15-18,25H,4-14,19-21H2,1-3H3;1H/q+1;/p-1


name: 3,3,5-trimethylcyclohexyl 2-aminobenzoate
cas: 84434-70-8
dtxsid: DTXSID801004708
formula: C16H23NO2
inchikey: ZZIOHIIUIJCJIW-UHFFFAOYSA-N
norman_susdat_id: NS00060909
pubchem_cid: 3019889
smiles: O=C(OC1CC(C)CC(C)(C)C1)C=2C=CC=CC2N
inchi:
InChI=1/C16H23NO2/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12H,8-10,17H2,1-3H3


name: Octacosanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 84434-75-3
formula: C28H56O2.C6H15NO3
inchikey: PCWONYSCGQKEHW-UHFFFAOYSA-N
norman_susdat_id: NS00090447
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C28H56O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30;8-4-1-7(2-5-9)3-6-10/h2-27H2,1H3,(H,29,30);8-10H,1-6H2


cas: 84434-76-4
formula: C45H67Cl4N13O6
inchikey: WZMQAISEUROBGG-CCDFYQNOSA-N
norman_susdat_id: NS00060290
pubchem_cid: 44150367
name:
Methyl N-[3-[bis(2-chloroethyl)amino]-N-[N2-[N2-[3-[bis(2-chloroethyl)amino]-3-phenyl-L-alanyl]-L-arginyl]-L-lysyl]-3-phenyl-L-alanyl]-L-histidinate tetrahydrochloride

inchi:
InChI=1/C45H67Cl4N13O6.4ClH/c1-68-44(67)35(27-32-28-54-29-56-32)59-43(66)37(39(31-13-6-3-7-14-31)62(25-19-48)26-20-49)60-41(64)33(15-8-9-21-50)57-40(63)34(16-10-22-55-45(52)53)58-42(65)36(51)38(30-11-4-2-5-12-30)61(23-17-46)24-18-47;;;;/h2-7,11-14,28-29,33-39H,8-10,15-27,50-51H2,1H3,(H,54,56)(H,57,63)(H,58,65)(H,59,66)(H,60,64)(H4,52,53,55);4*1H

smiles:
Cl.Cl.Cl.Cl.O=C(OC)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C(C=1C=CC=CC1)N(CCCl)CCCl)CCCNC(=N)N)CCCCN)C(C=2C=CC=CC2)N(CCCl)CCCl)CC=3N=CNC3


name: Dilithium dodecanedioate
cas: 84434-86-6
formula: C12H22O4.2Li
inchikey: WZSAITQULFOWSY-UHFFFAOYSA-L
norman_susdat_id: NS00090901
smiles: [Li+].[Li+].[O-]C(=O)CCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C12H22O4.2Li/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;;/h1-10H2,(H,13,14)(H,15,16);;/q;2*+1/p-2


name: 4-Acetamido-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
cas: 844440-86-4
dtxsid: DTXSID10647748
formula: C12H11FN4O2
inchikey: CWQKPKYIMQTGJK-UHFFFAOYSA-N
norman_susdat_id: NS00071542
pubchem_cid: 24864077
smiles: CC(=O)Nc1c[nH]nc1C(=O)Nc1ccc(F)cc1
inchi:
InChI=1S/C12H11FN4O2/c1-7(18)15-10-6-14-17-11(10)12(19)16-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,17)(H,15,18)(H,16,19)


name: AT-7519
cas: 844442-38-2
chebiid: CHEBI:91326
dtxsid: DTXSID30233420
formula: C16H17Cl2N5O2
inchikey: OVPNQJVDAFNBDN-UHFFFAOYSA-N
norman_susdat_id: NS00071536
pubchem_cid: 11338033
smiles: O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl
inchi:
InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)


name: 4-{6-[(Methanesulfonyl)oxy]-1-benzothiophen-2-yl}phenyl methanesulfonate
cas: 84449-65-0
chemspiderid: 15072782
dtxsid: DTXSID50534769
formula: C16H14O6S3
inchikey: OPKQAMCWGICRGH-UHFFFAOYSA-N
norman_susdat_id: NS00002671
pubchem_cid: 13286041
smiles: CS(=O)(=O)Oc1ccc(cc1)-c1cc2ccc(OS(C)(=O)=O)cc2s1
inchi:
InChI=1S/C16H14O6S3/c1-24(17,18)21-13-6-3-11(4-7-13)15-9-12-5-8-14(10-16(12)23-15)22-25(2,19)20/h3-10H,1-2H3


name: 4-[2-piperidinoethoxy]benzoic acid hydrochloride
cas: 84449-80-9
dtxsid: DTXSID4057841
formula: C14H19NO3
inchikey: CMVTYSMYHSVDIU-UHFFFAOYSA-N
norman_susdat_id: NS00060910
pubchem_cid: NA
smiles: Cl.O=C(O)C1=CC=C(OCCN2CCCCC2)C=C1
inchi:
InChI=1/C14H19NO3.ClH/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15;/h4-7H,1-3,8-11H2,(H,16,17);1H


name: Raloxifene
cas: 84449-90-1
chebiid: CHEBI:8772
chemspiderid: 4859
dtxsid: DTXSID3023550
formula: C28H27N1O4S1
inchikey: GZUITABIAKMVPG-UHFFFAOYSA-N
norman_susdat_id: NS00005279
pubchem_cid: 5035
smiles: Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
inchi:
InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2


name: 5-[(4,8-disulpho-2-naphthyl)azo]salicylic acid
cas: 84455-34-5
formula: C17H12N2O9S2
inchikey: VKENSDHOFBIEGJ-UHFFFAOYSA-N
norman_susdat_id: NS00090520
smiles: O=C(O)c1cc(ccc1O)N=Nc3cc2c(cccc2c(c3)S(O)(=O)=O)S(O)(=O)=O
inchi:
InChI=1/C17H12N2O9S2/c20-14-5-4-9(6-13(14)17(21)22)18-19-10-7-12-11(16(8-10)30(26,27)28)2-1-3-15(12)29(23,24)25/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28)


name: 4-(benzothiazol-2-ylazo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
cas: 84455-35-6
formula: C17H13N5OS
inchikey: ALTDCLQPJJVVPW-UHFFFAOYSA-N
norman_susdat_id: NS00060352
pubchem_cid: 3019894
smiles: O=C1N(N=C(C)C1N=NC2=NC=3C=CC=CC3S2)C=4C=CC=CC4
inchi:
InChI=1/C17H13N5OS/c1-11-15(16(23)22(21-11)12-7-3-2-4-8-12)19-20-17-18-13-9-5-6-10-14(13)24-17/h2-10,15H,1H3


name: (2,4,6-Trimethylbenzoyl)bis(o-tolyl)phosphine oxide
cas: 84455-37-8
chemspiderid: 14835442
dtxsid: DTXSID40233431
formula: C24H25O2P1
inchikey: HTJAVJQJNIBGMU-UHFFFAOYSA-N
norman_susdat_id: NS00038514
pubchem_cid: 20201894
smiles: Cc1cc(C)c(C(=O)P(=O)(c2ccccc2C)c2ccccc2C)c(C)c1
inchi:
InChI=1S/C24H25O2P/c1-16-14-19(4)23(20(5)15-16)24(25)27(26,21-12-8-6-10-17(21)2)22-13-9-7-11-18(22)3/h6-15H,1-5H3


name: 2-Acetamido-6-(phenylthio)benzoic acid
cas: 84455-38-9
chemspiderid: 2286948
dtxsid: DTXSID00233432
formula: C15H13N1O3S1
inchikey: VOKXGVHRVUGNCQ-UHFFFAOYSA-N
norman_susdat_id: NS00038515
pubchem_cid: 3019896
smiles: CC(=O)Nc1c(C(=O)O)c(Sc2ccccc2)ccc1
inchi:
InChI=1S/C15H13NO3S/c1-10(17)16-12-8-5-9-13(14(12)15(18)19)20-11-6-3-2-4-7-11/h2-9H,1H3,(H,16,17)(H,18,19)


cas: 84455-39-0
dtxsid: DTXSID701004717
formula: C37H37N2O2
inchikey: YYIXFNLMGAOCNC-UHFFFAOYSA-M
norman_susdat_id: NS00061965
pubchem_cid: NA
smiles: [I-].O1C=2C=CC(=CC2N(C1=CC(=CC=3OC4=CC=C(C=C4[N+]3CCC)C=5C=CC=CC5)CC)CCC)C=6C=CC=CC6
name:
5-phenyl-2-[2-[(5-phenyl-3-propyl-3H-benzoxazol-2-ylidene)methyl]but-1-enyl]-3-propylbenzoxazolium iodide

inchi:
InChI=1/C37H37N2O2.HI/c1-4-21-38-32-25-30(28-13-9-7-10-14-28)17-19-34(32)40-36(38)23-27(6-3)24-37-39(22-5-2)33-26-31(18-20-35(33)41-37)29-15-11-8-12-16-29;/h7-20,23-26H,4-6,21-22H2,1-3H3;1H/q+1;/p-1


cas: 84455-40-3
chemspiderid: 19557905
formula: C40H30Cl4N14O20S6
inchikey: KNSIUPJENVIPLE-UHFFFAOYSA-N
norman_susdat_id: NS00040742
pubchem_cid: 23520412
name:
6,13-dichloro-3,10-bis[[2-[[4-chloro-6-[(2,4-disulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]ethyl]amino]triphenodioxazine-4,11-disulphonic acid

inchi:
InChI=1S/C40H30Cl4N14O20S6/c41-25-28-32(78-30-20(50-28)6-8-22(34(30)84(74,75)76)46-10-12-48-38-54-36(44)56-40(58-38)52-18-4-2-16(80(62,63)64)14-24(18)82(68,69)70)26(42)27-31(25)77-29-19(49-27)5-7-21(33(29)83(71,72)73)45-9-11-47-37-53-35(43)55-39(57-37)51-17-3-1-15(79(59,60)61)13-23(17)81(65,66)67/h1-8,13-14,45-46H,9-12H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,47,51,53,55,57)(H2,48,52,54,56,58)

smiles:
OS(=O)(=O)c1ccc(Nc2nc(Cl)nc(NCCNc3ccc4N=c5c(Cl)c6Oc7c(ccc(NCCNc8nc(Cl)nc(Nc9ccc(cc9S(O)(=O)=O)S(O)(=O)=O)n8)c7S(O)(=O)=O)N=c6c(Cl)c5Oc4c3S(O)(=O)=O)n2)c(c1)S(O)(=O)=O


cas: 84455-42-5
formula: C34H30N3O2S
inchikey: DONWKFNSWNNLDA-UHFFFAOYSA-M
norman_susdat_id: NS00060811
pubchem_cid: NA
name:
2-[[3-allyl-5-[(1-methyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5-phenylbenzoxazolium p-toluenesulphonate

inchi:
InChI=1/C34H30N3O2S.C7H8O3S/c1-4-20-37-33(40-31(34(37)38)18-16-25-19-21-35(3)28-14-10-9-13-27(25)28)23-32-36(5-2)29-22-26(15-17-30(29)39-32)24-11-7-6-8-12-24;1-6-2-4-7(5-3-6)11(8,9)10/h4,6-19,21-23H,1,5,20H2,2-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

smiles:
O=C1C(SC(=CC=2OC3=CC=C(C=C3[N+]2CC)C=4C=CC=CC4)N1CC=C)=CC=C5C=CN(C=6C=CC=CC56)C.O=S(=O)([O-])C1=CC=C(C=C1)C


name: 4-[bis(benzyl)amino]-3-ethoxybenzenediazonium tetrachlorozincate (2:1)
cas: 84455-44-7
formula: C22H22N3O.1/2Cl4Zn
inchikey: WAZIYKAKHFKLCY-UHFFFAOYSA-J
norman_susdat_id: NS00090917
inchi:
InChI=1/2C22H22N3O.4ClH.Zn/c2*1-2-26-22-15-20(24-23)13-14-21(22)25(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19;;;;;/h2*3-15H,2,16-17H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C22H22N3O.Cl4Zn/c2*1-2-26-22-15-20(24-23)13-14-21(22)25(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19;1-5(2,3)4/h2*3-15H,2,16-17H2,1H3;/q2*+1;-2

smiles:
CCOc1cc(ccc1N(Cc2ccccc2)Cc3ccccc3)[N+]#N.CCOc4cc(ccc4N(Cc5ccccc5)Cc6ccccc6)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl


name: Ammonium tris(1-methylethyl)naphthalenesulphonate
cas: 84455-46-9
formula: C19H26O3S.H3N
inchikey: RTXXSGZDJZCXKU-UHFFFAOYSA-N
norman_susdat_id: NS00090918
smiles: [NH4+].CC(C)c1c(C(C)C)c(c2ccccc2c1C(C)C)S(=O)(=O)[O-]
inchi:
InChI=1/C19H26O3S.H3N/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);1H3


name: Undec-10-enoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 84471-25-0
formula: C11H20O2.C6H15NO3
inchikey: VFMQMKVIAHCZKP-UHFFFAOYSA-N
norman_susdat_id: NS00090256
smiles: OCCN(CCO)CCO.OC(=O)CCCCCCCCC=C
inchi:
InChI=1/C11H20O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11(12)13;8-4-1-7(2-5-9)3-6-10/h2H,1,3-10H2,(H,12,13);8-10H,1-6H2


name: (2-(Bis(2-hydroxyethyl)amino)ethyl) hydrogen phthalate
cas: 84473-57-4
chemspiderid: 21164182
dtxsid: DTXSID70233444
formula: C14H19N1O6
inchikey: WJVYXCWEPBPWRG-UHFFFAOYSA-N
norman_susdat_id: NS00038516
pubchem_cid: 13880214
smiles: OCCN(CCO)CCOC(=O)c1ccccc1C(=O)O
inchi:
InChI=1S/C14H19NO6/c16-8-5-15(6-9-17)7-10-21-14(20)12-4-2-1-3-11(12)13(18)19/h1-4,16-17H,5-10H2,(H,18,19)


name: 1,2,4,5-Tetrabromo-3,6-bis((2,4,6-tribromophenoxy)methyl)benzene
cas: 84473-58-5
chemspiderid: 2286949
dtxsid: DTXSID30233445
formula: C20H8Br10O2
inchikey: NVJQEKQKJFEBBS-UHFFFAOYSA-N
norman_susdat_id: NS00038517
pubchem_cid: 3019901
smiles: Brc1cc(Br)c(OCc2c(Br)c(Br)c(COc3c(Br)cc(Br)cc3Br)c(Br)c2Br)c(Br)c1
inchi:
InChI=1S/C20H8Br10O2/c21-7-1-11(23)19(12(24)2-7)31-5-9-15(27)17(29)10(18(30)16(9)28)6-32-20-13(25)3-8(22)4-14(20)26/h1-4H,5-6H2


name: a-methylbenzylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
cas: 84473-63-2
formula: C8H11N.C6H8O7
inchikey: PNCVNNDPBHXPTE-UHFFFAOYSA-L
norman_susdat_id: NS00090459
smiles: CC([NH3+])c1ccccc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C8H11N.C6H8O7/c1-7(9)8-5-3-2-4-6-8;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-7H,9H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2


name: Phenethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
cas: 84473-65-4
formula: C8H11N.C6H8O7
inchikey: CTBJILANYAWODF-UHFFFAOYSA-L
norman_susdat_id: NS00090522
smiles: [NH3+]CCc1ccccc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C8H11N.C6H8O7/c9-7-6-8-4-2-1-3-5-8;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-5H,6-7,9H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2


name: Bis(2-hydroxypropyl)ammonium palmitate
cas: 84473-69-8
formula: C16H32O2.C6H15NO2
inchikey: MAYNZVTZQFEHFN-UHFFFAOYSA-N
norman_susdat_id: NS00090924
smiles: CCCCCCCCCCCCCCCC(=O)[O-].CC(O)C[NH2+]CC(C)O
inchi:
InChI=1/C16H32O2.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-5(8)3-7-4-6(2)9/h2-15H2,1H3,(H,17,18);5-9H,3-4H2,1-2H3


name: Tris(2-hydroxypropyl)ammonium palmitate
cas: 84473-70-1
formula: C16H32O2.C9H21NO3
inchikey: GXYBLEMGMSZXGR-UHFFFAOYSA-N
norman_susdat_id: NS00090259
smiles: CCCCCCCCCCCCCCCC(=O)[O-].CC(O)C[NH+](CC(C)O)CC(C)O
inchi:
InChI=1/C16H32O2.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-7(11)4-10(5-8(2)12)6-9(3)13/h2-15H2,1H3,(H,17,18);7-9,11-13H,4-6H2,1-3H3


name: Ethyl 3-[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]oxirane-2-carboxylate
cas: 84473-79-0
dtxsid: DTXSID901004749
formula: C17H26O3
inchikey: PVRRNOXJDZFUFX-UHFFFAOYSA-N
norman_susdat_id: NS00060882
pubchem_cid: 5743839
smiles: O=C(OCC)C1OC1C2CC=C(CCC=C(C)C)CC2
inchi:
InChI=1/C17H26O3/c1-4-19-17(18)16-15(20-16)14-10-8-13(9-11-14)7-5-6-12(2)3/h6,8,14-16H,4-5,7,9-11H2,1-3H3


name: Ethyl 3-[3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]oxirane-2-carboxylate
cas: 84473-80-3
dtxsid: DTXSID201004750
formula: C17H26O3
inchikey: FTOQVEJIYGGRDQ-UHFFFAOYSA-N
norman_susdat_id: NS00060410
pubchem_cid: 5743840
smiles: O=C(OCC)C1OC1C2CC(=CCC2)CCC=C(C)C
inchi:
InChI=1/C17H26O3/c1-4-19-17(18)16-15(20-16)14-10-6-9-13(11-14)8-5-7-12(2)3/h7,9,14-16H,4-6,8,10-11H2,1-3H3


name: Aluminium 3-[(4-anilinophenyl)azo]benzenesulphonate
cas: 84473-88-1
formula: C18H15N3O3S.1/3Al
inchikey: QIROOMMLQTVTNH-UHFFFAOYSA-K
norman_susdat_id: NS00090708
inchi:
InChI=1/3C18H15N3O3S.Al/c3*22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14;/h3*1-13,19H,(H,22,23,24);/q;;;+3/p-3

smiles:
[Al+3].[O-]S(=O)(=O)c3cccc(N=Nc2ccc(Nc1ccccc1)cc2)c3.[O-]S(=O)(=O)c3cccc(N=Nc2ccc(Nc1ccccc1)cc2)c3.[O-]S(=O)(=O)c3cccc(N=Nc2ccc(Nc1ccccc1)cc2)c3


name: Evodenoson
cas: 844873-47-8
dtxsid: DTXSID40233476
formula: C23H29N7O6
inchikey: SQJXTUJMBYVDBB-RQXXJAGISA-N
norman_susdat_id: NS00072172
pubchem_cid: 11627443
smiles: COC(=O)N1CCC(CC#Cc2nc(N)c3ncn([C@@H]4O[C@H](C(=O)NC5CC5)[C@@H](O)[C@H]4O)c3n2)CC1
inchi:
InChI=1S/C23H29N7O6/c1-35-23(34)29-9-7-12(8-10-29)3-2-4-14-27-19(24)15-20(28-14)30(11-25-15)22-17(32)16(31)18(36-22)21(33)26-13-5-6-13/h11-13,16-18,22,31-32H,3,5-10H2,1H3,(H,26,33)(H2,24,27,28)/t16-,17+,18-,22+/m0/s1


name: (S)-2-Hydrazino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropionic acid
cas: 84488-77-7
chebiid: CHEBI:168327
chemspiderid: 2286955
dtxsid: DTXSID00233477
formula: C11H16N2O4
inchikey: CZEXQBQCMOVXGP-NSHDSACASA-N
norman_susdat_id: NS00038520
pubchem_cid: 10198647
smiles: COc1cc(CC(C)(NN)C(=O)O)ccc1O
inchi:
InChI=1S/C11H16N2O4/c1-11(13-12,10(15)16)6-7-3-4-8(14)9(5-7)17-2/h3-5,13-14H,6,12H2,1-2H3,(H,15,16)/t11-/m1/s1


name: Clomeprop
cas: 84496-56-0
chemspiderid: 84386
dtxsid: DTXSID0058198
formula: C16H15Cl2N1O2
inchikey: BDQWWOHKFDSADC-UHFFFAOYSA-N
norman_susdat_id: NS00004071
pubchem_cid: 93482
smiles: CC(Oc1ccc(Cl)c(C)c1Cl)C(=O)Nc1ccccc1
inchi:
InChI=1S/C16H15Cl2NO2/c1-10-13(17)8-9-14(15(10)18)21-11(2)16(20)19-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,19,20)


name: Sodium 2-(p-(dimethylamino)phenylazo)benzoate
cas: 845-10-3
formula: C15H15N3O2.Na
inchikey: GNTPCYMJCJNRQB-UHFFFAOYSA-M
norman_susdat_id: NS00079823
smiles: [Na+].CN(C)c2ccc(N=Nc1ccccc1C([O-])=O)cc2
inchi:
InChI=1/C15H15N3O2.Na/c1-18(2)12-9-7-11(8-10-12)16-17-14-6-4-3-5-13(14)15(19)20;/h3-10H,1-2H3,(H,19,20);/q;+1/p-1


name: Desmethyl dihydrocodeine
cas: 845-69-2
dtxsid: DTXSID201004774
formula: C17H21NO3
inchikey: IKGNKASQBMZRJL-XFXBENAFSA-N
norman_susdat_id: NS00114011
pubchem_cid: 3083650
smiles: [H]C12OC3=C(OC)C=CC4=C3[C@@]11CCN[C@@]([H])(C4)C1([H])CC[C@]2([H])O
inchi:
InChI=1S/C17H21NO3/c1-20-13-5-2-9-8-11-10-3-4-12(19)16-17(10,6-7-18-11)14(9)15(13)21-16/h2,5,10-12,16,18-19H,3-4,6-8H2,1H3/t10?,11-,12-,16?,17-/m0/s1


name: 5,6,7,8-tetradehydro-3-methoxy-17-methylmorphinan-4-ol
cas: 845-72-7
dtxsid: DTXSID901004775
formula: C18H21NO2
inchikey: OUBYDCHQEFHDQQ-PMUMKWKESA-N
norman_susdat_id: NS00042918
pubchem_cid: 14335918
smiles: OC=1C(OC)=CC=C2C1C34C=CC=CC4C(N(C)CC3)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/h3-8,13-14,20H,9-11H2,1-2H3


name: Lithium 4-[(octadecylamino)carbonyl]benzoate
cas: 84501-54-2
formula: C26H43NO3.Li
inchikey: CFEXAQPFPQOCPS-UHFFFAOYSA-M
norman_susdat_id: NS00090722
smiles: [Li+].CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)[O-]
inchi:
InChI=1/C26H43NO3.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(28)23-18-20-24(21-19-23)26(29)30;/h18-21H,2-17,22H2,1H3,(H,27,28)(H,29,30);/q;+1/p-1


name: 4-((4-Hydroxyphenyl)(4-hydroxy-m-tolyl)methylene)cyclohexa-2,5-dien-1-one, sodium salt
cas: 84501-57-5
dtxsid: DTXSID20233494
formula: C20H15NaO3
inchikey: KEUMVQPFAKZHTG-UHFFFAOYSA-M
norman_susdat_id: NS00093675
smiles: [Na+].CC1=C([O-])C=CC(=C1)C(C1=CC=C(O)C=C1)=C1C=CC(=O)C=C1
inchi:
InChI=1S/C20H16O3.Na/c1-13-12-16(6-11-19(13)23)20(14-2-7-17(21)8-3-14)15-4-9-18(22)10-5-15;/h2-12,21,23H,1H3;/q;+1/p-1


name: Sebacic acid, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethane-1,2-diamine
cas: 84501-59-7
formula: C10H18O4.xC8H23N5
inchikey: LDMKFNBIDDQHDR-UHFFFAOYSA-N
norman_susdat_id: NS00091205
smiles: NCCNCCNCCNCCN.OC(=O)CCCCCCCCC(=O)O
inchi:
InChI=1/C10H18O4.C8H23N5/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2,(H,11,12)(H,13,14);11-13H,1-10H2


name: Azelaic acid, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethane-1,2-diamine
cas: 84501-60-0
formula: C9H16O4.xC8H23N5
inchikey: OUSAGWLDHCPJIN-UHFFFAOYSA-N
norman_susdat_id: NS00090723
smiles: NCCNCCNCCNCCN.OC(=O)CCCCCCCC(=O)O
inchi:
InChI=1/C9H16O4.C8H23N5/c10-8(11)6-4-2-1-3-5-7-9(12)13;9-1-3-11-5-7-13-8-6-12-4-2-10/h1-7H2,(H,10,11)(H,12,13);11-13H,1-10H2


name: Ethyl 4-((1-((4-fluorophenyl)methyl)-1H-benzimidazol-2-yl)amino)piperidine-1-carboxylate
cas: 84501-68-8
chemspiderid: 2286958
dtxsid: DTXSID30233501
formula: C22H25F1N4O2
inchikey: MMPSFTZVUMTCKV-UHFFFAOYSA-N
norman_susdat_id: NS00038523
pubchem_cid: 3019916
smiles: CCOC(=O)N1CCC(CC1)Nc1nc2c(cccc2)n1Cc1ccc(F)cc1
inchi:
InChI=1S/C22H25FN4O2/c1-2-29-22(28)26-13-11-18(12-14-26)24-21-25-19-5-3-4-6-20(19)27(21)15-16-7-9-17(23)10-8-16/h3-10,18H,2,11-15H2,1H3,(H,24,25)


cas: 84521-99-3
formula: C24H20N8O9S2.2Na
inchikey: LNNGNPIFKFFHFO-UHFFFAOYSA-L
norman_susdat_id: NS00090724
name:
Disodium 2-[[4-[[2,4-diamino-5-[(2-hydroxy-5-sulphonatophenyl)azo]phenyl]azo]phenyl]amino]-5-nitrobenzenesulphonate

inchi:
InChI=1/C24H20N8O9S2.2Na/c25-17-11-18(26)21(30-31-22-10-16(42(36,37)38)6-8-23(22)33)12-20(17)29-28-14-3-1-13(2-4-14)27-19-7-5-15(32(34)35)9-24(19)43(39,40)41;;/h1-12,27,33H,25-26H2,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2

smiles:
[Na+].[Na+].Oc4ccc(cc4N=Nc3cc(N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)c(N)cc3N)S([O-])(=O)=O


cas: 84522-00-9
formula: C24H21N6O10S2
inchikey: JHNBVKFXVSBQDJ-UHFFFAOYSA-L
norman_susdat_id: NS00060926
pubchem_cid: NA
name:
Disodium 6-amino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[(4-nitrophenyl)azo]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C24H20N6O10S2.2Na/c1-12-7-19(20(40-2)11-18(12)27-26-14-3-5-15(6-4-14)30(32)33)28-29-23-22(42(37,38)39)9-13-8-21(41(34,35)36)17(25)10-16(13)24(23)31;;/h3-11,31H,25H2,1-2H3,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C=C(OC)C(N=NC3=C(O)C4=CC(N)=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])=CC2C)C=C1


cas: 84522-01-0
formula: C42H43N11O9S2
inchikey: HBIFDTIIRJWYIQ-UHFFFAOYSA-L
norman_susdat_id: NS00061551
pubchem_cid: 135853588
name:
Disodium 4-amino-3,6-bis[[4-[[4-(diethylamino)-2-hydroxyphenyl]azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C42H43N11O9S2.2Na/c1-5-52(6-2)30-17-19-32(34(54)23-30)48-44-26-9-13-28(14-10-26)46-50-40-36(63(57,58)59)21-25-22-37(64(60,61)62)41(42(56)38(25)39(40)43)51-47-29-15-11-27(12-16-29)45-49-33-20-18-31(24-35(33)55)53(7-3)8-4;;/h9-24,54-56H,5-8,43H2,1-4H3,(H,57,58,59)(H,60,61,62);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(N=NC4=CC=C(C=C4O)N(CC)CC)C=C3)C(N)=C2C(O)=C1N=NC5=CC=C(N=NC6=CC=C(C=C6O)N(CC)CC)C=C5)S(=O)(=O)[O-]


name: 2-ethylhexyl dihydrogen phosphate, compound with morpholine (1:2)
cas: 84522-03-2
formula: C8H19O4P.2C4H9NO
inchikey: ORRSKCIFSBNFJM-UHFFFAOYSA-N
norman_susdat_id: NS00090659
smiles: CCC(CCCC)COP(O)(O)=O.C1COCCN1.C1CNCCO1
inchi:
InChI=1/C8H19O4P.2C4H9NO/c1-3-5-6-8(4-2)7-12-13(9,10)11;2*1-3-6-4-2-5-1/h8H,3-7H2,1-2H3,(H2,9,10,11);2*5H,1-4H2


name: 6,6'-(Ethylenebis(oxy))bis(1,3,5-triazine-2,4-diamine)
cas: 84522-04-3
chemspiderid: 21164200
dtxsid: DTXSID50233508
formula: C8H12N10O2
inchikey: OGRXIYGLBKRIJG-UHFFFAOYSA-N
norman_susdat_id: NS00038525
pubchem_cid: 14848162
smiles: Nc1nc(OCCOc2nc(N)nc(N)n2)nc(N)n1
inchi:
InChI=1S/C8H12N10O2/c9-3-13-4(10)16-7(15-3)19-1-2-20-8-17-5(11)14-6(12)18-8/h1-2H2,(H4,9,10,13,15,16)(H4,11,12,14,17,18)


name: 2-ethylhexyl dihydrogen phosphate, compound with morpholine (1:1)
cas: 84522-05-4
formula: C8H19O4P.C4H9NO
inchikey: RWMSPKVMXGCFCZ-UHFFFAOYSA-N
norman_susdat_id: NS00090432
smiles: OP(O)(=O)OCC(CC)CCCC.C1CNCCO1
inchi:
InChI=1/C8H19O4P.C4H9NO/c1-3-5-6-8(4-2)7-12-13(9,10)11;1-3-6-4-2-5-1/h8H,3-7H2,1-2H3,(H2,9,10,11);5H,1-4H2


name: 4-benzoylbenzene-1,2,3-triyl tris(3-diazo-3,4-dihydro-4-oxonaphthalene-1-sulphonate)
cas: 84522-08-7
dtxsid: DTXSID501004797
formula: C43H25N6O13S3
inchikey: AZLPCAODPMJHMD-UHFFFAOYSA-N
norman_susdat_id: NS00061780
pubchem_cid: NA
inchi:
InChI=1/C43H22N6O13S3/c44-47-31-20-35(24-12-4-7-15-27(24)39(31)51)63(54,55)60-34-19-18-30(38(50)23-10-2-1-3-11-23)42(61-64(56,57)36-21-32(48-45)40(52)28-16-8-5-13-25(28)36)43(34)62-65(58,59)37-22-33(49-46)41(53)29-17-9-6-14-26(29)37/h1-22H

smiles:
[N-]=[N+]=C1C=C(C=2C=CC=CC2C1=O)S(=O)(=O)OC3=CC=C(C(=O)C=4C=CC=CC4)C(OS(=O)(=O)C5=CC(=[N+]=[N-])C(=O)C=6C=CC=CC65)=C3OS(=O)(=O)C7=CC(=[N+]=[N-])C(=O)C=8C=CC=CC87


name: 2-chloro-5-(4-chlorophenoxy)-4-(dimethylamino)benzenediazonium hydrogen sulphate
cas: 84522-12-3
formula: C14H12Cl2N3O.HO4S
inchikey: GWGNUZPWCSZTGR-UHFFFAOYSA-L
norman_susdat_id: NS00090433
smiles: CN(C)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C14H12Cl2N3O.H2O4S/c1-19(2)13-7-11(16)12(18-17)8-14(13)20-10-5-3-9(15)4-6-10;1-5(2,3)4/h3-8H,1-2H3;(H2,1,2,3,4)/q+1;/p-2


cas: 84522-13-4
chemspiderid: 3379736
dtxsid: DTXSID60233514
formula: C28H26N2O9
inchikey: BNLAQGDMOYPYQZ-UHFFFAOYSA-N
norman_susdat_id: NS00038530
pubchem_cid: 4168207
smiles: CN(CC(=O)O)Cc1c(O)cc2Oc3cc(O)c(CN(C)CC(=O)O)cc3C3(OC(=O)c4ccccc34)c2c1
name:
N,N'-((3',6'-Dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-2',7'-diyl)bis(methylene))bis(N-methylglycine)

inchi:
InChI=1S/C28H26N2O9/c1-29(13-25(33)34)11-15-7-19-23(9-21(15)31)38-24-10-22(32)16(12-30(2)14-26(35)36)8-20(24)28(19)18-6-4-3-5-17(18)27(37)39-28/h3-10,31-32H,11-14H2,1-2H3,(H,33,34)(H,35,36)


name: 3-((Phenylamino)carbonyl)-2-naphthyl chloroacetate
cas: 84522-14-5
chemspiderid: 3659374
dtxsid: DTXSID20233515
formula: C19H14Cl1N1O3
inchikey: MOKMMRCHXBKBKX-UHFFFAOYSA-N
norman_susdat_id: NS00038531
pubchem_cid: 4460654
smiles: ClCC(=O)Oc1c(cc2ccccc2c1)C(=O)Nc1ccccc1
inchi:
InChI=1S/C19H14ClNO3/c20-12-18(22)24-17-11-14-7-5-4-6-13(14)10-16(17)19(23)21-15-8-2-1-3-9-15/h1-11H,12H2,(H,21,23)


name: N-(2-Methoxyphenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
cas: 84522-15-6
chemspiderid: 2286960
dtxsid: DTXSID80233516
formula: C18H16N1O6P1
inchikey: OQFPBLDHWBQYNM-UHFFFAOYSA-N
norman_susdat_id: NS00038532
pubchem_cid: 3019924
smiles: COc1c(NC(=O)c2c(OP(=O)(O)O)cc3ccccc3c2)cccc1
inchi:
InChI=1S/C18H16NO6P/c1-24-16-9-5-4-8-15(16)19-18(20)14-10-12-6-2-3-7-13(12)11-17(14)25-26(21,22)23/h2-11H,1H3,(H,19,20)(H2,21,22,23)


name: N-(4-Chloro-2-methoxyphenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
cas: 84522-16-7
chemspiderid: 2286961
dtxsid: DTXSID40233517
formula: C18H15Cl1N1O6P1
inchikey: MTECNYYSWQTZLS-UHFFFAOYSA-N
norman_susdat_id: NS00038533
pubchem_cid: 3019925
smiles: COc1c(NC(=O)c2cc3c(cccc3)cc2OP(=O)(O)O)ccc(Cl)c1
inchi:
InChI=1S/C18H15ClNO6P/c1-25-17-10-13(19)6-7-15(17)20-18(21)14-8-11-4-2-3-5-12(11)9-16(14)26-27(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)


cas: 84522-19-0
formula: C26H32N4O3
inchikey: HEPXSIRJUHFNKI-UHFFFAOYSA-N
norman_susdat_id: NS00061781
pubchem_cid: NA
smiles: O=C(O)C.O=C(NC(NC1CCCC(C)C1)CC)C2=CC(NC)=C3C(=O)C=4C=CC=CC4C(=O)C3=C2N
name:
1-amino-9,10-dihydro-4-(methylamino)-N-[(3-methylcyclohexylamino)propyl]-9,10-dioxoanthracene-2-carboxamide monoacetate

inchi:
InChI=1/C26H32N4O3.C2H4O2/c1-4-20(29-15-9-7-8-14(2)12-15)30-26(33)18-13-19(28-3)21-22(23(18)27)25(32)17-11-6-5-10-16(17)24(21)31;1-2(3)4/h5-6,10-11,13-15,20,28-29H,4,7-9,12,27H2,1-3H3,(H,30,33);1H3,(H,3,4)


cas: 84522-20-3
formula: C18H22Cl2N5O2
inchikey: JFHQTFGGTCDQTF-UHFFFAOYSA-N
norman_susdat_id: NS00060638
pubchem_cid: NA
smiles: Cl.O=[N+]([O-])C1=CC(Cl)=C(N=NC2=CC=C(C=C2)N(CC)CCN(C)C)C(Cl)=C1
name:
N-[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]-N-ethyl-N',N'-dimethylethylenediamine monohydrochloride

inchi:
InChI=1/C18H21Cl2N5O2.ClH/c1-4-24(10-9-23(2)3)14-7-5-13(6-8-14)21-22-18-16(19)11-15(25(26)27)12-17(18)20;/h5-8,11-12H,4,9-10H2,1-3H3;1H


name: 5-[[4-[benzylmethylamino]phenyl]azo]-1,4-dimethyl-3-phenyl-1H-1,2,4-triazolium chloride
cas: 84522-21-4
formula: C24H26N6
inchikey: XXXPUAIQQGPGEZ-UHFFFAOYSA-N
norman_susdat_id: NS00060135
pubchem_cid: NA
smiles: [Cl-].N(=NC1N(C(=N[NH+]1C)C=2C=CC=CC2)C)C3=CC=C(C=C3)N(C)CC=4C=CC=CC4
inchi:
InChI=1/C24H26N6.ClH/c1-28(18-19-10-6-4-7-11-19)22-16-14-21(15-17-22)25-26-24-29(2)23(27-30(24)3)20-12-8-5-9-13-20;/h4-17,24H,18H2,1-3H3;1H


name: [1,1'-biphenyl]-2-ol, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 84522-36-1
formula: C12H10O.C6H15NO3
inchikey: ZXIKXDFFNVUMQR-UHFFFAOYSA-N
norman_susdat_id: NS00090391
smiles: OCCN(CCO)CCO.Oc1ccccc1c2ccccc2
inchi:
InChI=1/C12H10O.C6H15NO3/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;8-4-1-7(2-5-9)3-6-10/h1-9,13H;8-10H,1-6H2


name: Sebacic acid, compound with morpholine
cas: 84522-37-2
formula: C10H18O4.xC4H9NO
inchikey: XMIVMXLEJAOIKA-UHFFFAOYSA-N
norman_susdat_id: NS00090169
smiles: OC(=O)CCCCCCCCC(=O)O.C1COCCN1
inchi:
InChI=1/C10H18O4.C4H9NO/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-3-6-4-2-5-1/h1-8H2,(H,11,12)(H,13,14);5H,1-4H2


cas: 84522-43-0
formula: C28H21N10O15S2
inchikey: FKNYMRPWJDBEHP-UHFFFAOYSA-N
norman_susdat_id: NS00060137
pubchem_cid: NA
name:
Disodium 4-[(2-amino-4-hydroxyphenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate, mono[(p-nitrophenyl)azo] mono[(2-hydroxy-3,5-dinitrophenyl)azo] derivative

inchi:
InChI=1/C28H18N10O15S2.2Na/c29-21-11-18(39)5-6-22(21)31-32-23-12-19(54(48,49)52-34-30-15-1-3-16(4-2-15)36(42)43)7-14-8-20(13-26(40)27(14)23)55(50,51)53-35-33-24-9-17(37(44)45)10-25(28(24)41)38(46)47;;/h1-13,39-41H,29H2;;/q;2*+1

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NOS(=O)(=O)C2=CC(N=NC3=CC=C(O)C=C3N)=C4C(O)=CC(=CC4=C2)S(=O)(=O)ON=NC=5C=C(C=C(C5O)[N+](=O)[O-])[N+](=O)[O-])C=C1


name: Alr-3456
cas: 845256-65-7
formula: C25H28F3N3O2
inchikey: MYBGWENAVMIGMM-GIFXNVAJSA-N
norman_susdat_id: NS00071056
smiles: CN1CC[C@H](N(C)C(=O)N2CC(c3cc(F)ccc3F)=C[C@@]2(CO)c2ccccc2)[C@H](F)C1
inchi:
InChI=1S/C25H28F3N3O2/c1-29-11-10-23(22(28)15-29)30(2)24(33)31-14-17(20-12-19(26)8-9-21(20)27)13-25(31,16-32)18-6-4-3-5-7-18/h3-9,12-13,22-23,32H,10-11,14-16H2,1-2H3/t22-,23+,25-/m1/s1


name: Methyl 3-amino-4-(4-chlorobenzene-1-sulfonyl)-5-(methylsulfanyl)thiophene-2-carboxylate
cas: 845266-18-4
chemspiderid: 2097486
dtxsid: DTXSID80384810
formula: C13H12Cl1N1O4S3
inchikey: UFELMQAESMNOAN-UHFFFAOYSA-N
norman_susdat_id: NS00015922
pubchem_cid: 2819252
smiles: COC(=O)C1=C(C(=C(S1)SC)S(=O)(=O)C2=CC=C(C=C2)Cl)N
inchi:
InChI=1S/C13H12ClNO4S3/c1-19-12(16)10-9(15)11(13(20-2)21-10)22(17,18)8-5-3-7(14)4-6-8/h3-6H,15H2,1-2H3


cas: 84540-24-9
dtxsid: DTXSID801004815
formula: C35H60N4O4
inchikey: VZWTXSWIXCKJLV-UHFFFAOYSA-N
norman_susdat_id: NS00061185
pubchem_cid: 3019931
smiles: O=C=NC1CC(C)(C)CC(C)(CNC(=O)N(C(=O)CCCCCCCCCCC)CC2(C)CC(N=C=O)CC(C)(C)C2)C1
name:
N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-N-[N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamoyl]lauramide

inchi:
InChI=1/C35H60N4O4/c1-8-9-10-11-12-13-14-15-16-17-30(42)39(25-35(7)21-29(38-27-41)19-33(4,5)23-35)31(43)36-24-34(6)20-28(37-26-40)18-32(2,3)22-34/h28-29H,8-25H2,1-7H3,(H,36,43)


name: Potassium N-[(5-amino-1,3,3-trimethylcyclohexyl)methyl]-ß-alaninate
cas: 84540-26-1
dtxsid: DTXSID501004816
formula: C13H26N2O2
inchikey: JNGPOWHIVCOUNQ-UHFFFAOYSA-M
norman_susdat_id: NS00061411
pubchem_cid: 56842383
smiles: [K+].O=C([O-])CCNCC1(C)CC(N)CC(C)(C)C1
inchi:
InChI=1/C13H26N2O2.K/c1-12(2)6-10(14)7-13(3,8-12)9-15-5-4-11(16)17;/h10,15H,4-9,14H2,1-3H3,(H,16,17);/q;+1/p-1


name: 3-(2-dodecenyl)-1-(2,2,6,6-tetramethyl-4-piperidyl)pyrrolidine-2,5-dione
cas: 84540-29-4
formula: C25H44N2O2
inchikey: IXWQHLNBGUINAZ-UHFFFAOYSA-N
norman_susdat_id: NS00060758
pubchem_cid: 3019935
smiles: O=C1N(C(=O)C(CC=CCCCCCCCCC)C1)C2CC(NC(C)(C)C2)(C)C
inchi:
InChI=1/C25H44N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)27(23(20)29)21-18-24(2,3)26-25(4,5)19-21/h14-15,20-21,26H,6-13,16-19H2,1-5H3


cas: 84540-30-7
dtxsid: DTXSID901004818
formula: C18H31N3O4
inchikey: ZEAUDAZVIMZUKB-UHFFFAOYSA-L
norman_susdat_id: NS00061433
pubchem_cid: NA
name:
Oxydiethylene bis[[[1,3,3-trimethyl-5-[[(2-methyl-6-oxo-1-piperidyl)carbonyl]amino]cyclohexyl]methyl]carbamate]

inchi:
InChI=1/2C18H31N3O4.C4H6O/c2*1-12-6-5-7-14(22)21(12)15(23)20-13-8-17(2,3)10-18(4,9-13)11-19-16(24)25;1-3-5-4-2/h2*12-13,19H,5-11H2,1-4H3,(H,20,23)(H,24,25);3-4H,1-2H2/p-2

smiles:
O=C([O-])NCC1(C)CC(NC(=O)N2C(=O)CCCC2C)CC(C)(C)C1.O=C([O-])NCC1(C)CC(NC(=O)N2C(=O)CCCC2C)CC(C)(C)C1.O(C=C)C=C


name: Disodium 8-hydroxy-7-[(4-nitrophenyl)azo]naphthalene-1,6-disulphonate
cas: 84540-31-8
formula: C16H12N3O9S2
inchikey: MQEWRJPFZHNHEF-UHFFFAOYSA-L
norman_susdat_id: NS00062410
pubchem_cid: NA
smiles: [Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC2=C(O)C=3C(=CC=CC3S(=O)(=O)[O-])C=C2S(=O)(=O)[O-])C=C1
inchi:
InChI=1/C16H11N3O9S2.2Na/c20-16-14-9(2-1-3-12(14)29(23,24)25)8-13(30(26,27)28)15(16)18-17-10-4-6-11(7-5-10)19(21)22;;/h1-8,20H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2


name: trans-p-(4-heptylcyclohexyl)phenetole
cas: 84540-33-0
dtxsid: DTXSID901004820
formula: C21H34O
inchikey: YZIKHUQFVVONNB-UHFFFAOYSA-N
norman_susdat_id: NS00061435
pubchem_cid: 3019937
smiles: O(C1=CC=C(C=C1)C2CCC(CCCCCCC)CC2)CC
inchi:
InChI=1/C21H34O/c1-3-5-6-7-8-9-18-10-12-19(13-11-18)20-14-16-21(17-15-20)22-4-2/h14-19H,3-13H2,1-2H3


name: 4-(4-Propylcyclohexyl)phenyl 4-butylcyclohexanecarboxylate
cas: 84540-35-2
chemspiderid: 2286973
dtxsid: DTXSID10233524
formula: C26H40O2
inchikey: NDGYDNIXYKYKAC-UHFFFAOYSA-N
norman_susdat_id: NS00038539
pubchem_cid: 3019939
smiles: CCCCC1CCC(CC1)C(=O)Oc1ccc(cc1)C1CCC(CCC)CC1
inchi:
InChI=1S/C26H40O2/c1-3-5-7-21-10-14-24(15-11-21)26(27)28-25-18-16-23(17-19-25)22-12-8-20(6-4-2)9-13-22/h16-22,24H,3-15H2,1-2H3/t20-,21-,22+,24-


name: trans-4-butyl-4'-(4-pentylcyclohexyl)-1,1'-biphenyl
cas: 84540-36-3
dtxsid: DTXSID301004822
formula: C27H38
inchikey: JYNBIXBHAKVVBW-UHFFFAOYSA-N
norman_susdat_id: NS00061186
pubchem_cid: 3019940
smiles: C=1C=C(C=CC1C=2C=CC(=CC2)C3CCC(CCCCC)CC3)CCCC
inchi:
InChI=1/C27H38/c1-3-5-7-9-23-12-16-25(17-13-23)27-20-18-26(19-21-27)24-14-10-22(11-15-24)8-6-4-2/h10-11,14-15,18-21,23,25H,3-9,12-13,16-17H2,1-2H3


name: trans-4-ethyl-4'-(4-propylcyclohexyl)-1,1'-biphenyl
cas: 84540-37-4
dtxsid: DTXSID001004823
formula: C23H30
inchikey: DOALOUQODWWGEZ-UHFFFAOYSA-N
norman_susdat_id: NS00062411
pubchem_cid: 606477
smiles: C=1C=C(C=CC1C=2C=CC(=CC2)C3CCC(CCC)CC3)CC
inchi:
InChI=1/C23H30/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h6-7,10-11,14-17,19,21H,3-5,8-9,12-13H2,1-2H3


name: Calcium hexadec-2-enylsuccinate
cas: 84540-42-1
formula: C20H36O4.Ca
inchikey: KRYNGFLBRSTTDE-UHFFFAOYSA-L
norman_susdat_id: NS00090613
smiles: [Ca+2].[O-]C(=O)CC(CC=CCCCCCCCCCCCCC)C([O-])=O
inchi:
InChI=1/C20H36O4.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22;/h14-15,18H,2-13,16-17H2,1H3,(H,21,22)(H,23,24);/q;+2/p-2


name: 1-(Bis(2-hydroxyethyl)amino)-1-deoxy-D-glucitol
cas: 84540-49-8
chemspiderid: 18500191
dtxsid: DTXSID20233530
formula: C10H23N1O7
inchikey: UURSKAGLHMBPNT-SGIHWFKDSA-N
norman_susdat_id: NS00038544
pubchem_cid: 22787936
smiles: OCCN(CCO)CC(O)C(O)C(O)C(O)CO
inchi:
InChI=1S/C10H23NO7/c12-3-1-11(2-4-13)5-7(15)9(17)10(18)8(16)6-14/h7-10,12-18H,1-6H2/t7-,8-,9-,10+/m0/s1


name: 1,4-diisotridecyl sulfonatosuccinic acid
cas: 84540-56-7
chemspiderid: 2289810
formula: C30H58O7S1
inchikey: XCNMHPMTEZXXTF-UHFFFAOYSA-N
norman_susdat_id: NS00004065
pubchem_cid: 3023697
smiles: CC(C)CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCC(C)C)S(O)(=O)=O
inchi:
InChI=1S/C30H58O7S/c1-26(2)21-17-13-9-5-7-11-15-19-23-36-29(31)25-28(38(33,34)35)30(32)37-24-20-16-12-8-6-10-14-18-22-27(3)4/h26-28H,5-25H2,1-4H3,(H,33,34,35)


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-norleucine, compound with cyclohexylamine (1:1)
cas: 84540-65-8
formula: C18H24N2O4S.C6H13N
inchikey: WRZSGEVGMAPVCB-RSAXXLAASA-N
norman_susdat_id: NS00090619
smiles: CCCC[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3
inchi:
InChI=1/C18H24N2O4S.C6H13N/c1-4-5-10-15(18(21)22)19-25(23,24)17-12-7-8-13-14(17)9-6-11-16(13)20(2)3;7-6-4-2-1-3-5-6/h6-9,11-12,15,19H,4-5,10H2,1-3H3,(H,21,22);6H,1-5,7H2


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-threonine, compound with cyclohexylamine
cas: 84540-66-9
formula: C16H20N2O5S.C6H13N
inchikey: QTBHJGKTOJYJOW-GWXPYHJSSA-N
norman_susdat_id: NS00090620
smiles: CC(O)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3
inchi:
InChI=1/C16H20N2O5S.C6H13N/c1-10(19)15(16(20)21)17-24(22,23)14-9-5-6-11-12(14)7-4-8-13(11)18(2)3;7-6-4-2-1-3-5-6/h4-10,15,17,19H,1-3H3,(H,20,21);6H,1-5,7H2


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-valine, compound with cyclohexylamine (1:1)
cas: 84540-67-0
formula: C17H22N2O4S.C6H13N
inchikey: XAAKQPYBZYQKNA-NTISSMGPSA-N
norman_susdat_id: NS00090448
smiles: CC(C)[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.NC3CCCCC3
inchi:
InChI=1/C17H22N2O4S.C6H13N/c1-11(2)16(17(20)21)18-24(22,23)15-10-6-7-12-13(15)8-5-9-14(12)19(3)4;7-6-4-2-1-3-5-6/h5-11,16,18H,1-4H3,(H,20,21);6H,1-5,7H2


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-tyrosine, compound with cyclohexylamine (1:1)
cas: 84540-68-1
formula: C21H22N2O5S.C6H13N
inchikey: UYKAMQHBCNUFCF-FERBBOLQSA-N
norman_susdat_id: NS00090621
smiles: CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O.NC4CCCCC4
inchi:
InChI=1/C21H22N2O5S.C6H13N/c1-23(2)19-7-3-6-17-16(19)5-4-8-20(17)29(27,28)22-18(21(25)26)13-14-9-11-15(24)12-10-14;7-6-4-2-1-3-5-6/h3-12,18,22,24H,13H2,1-2H3,(H,25,26);6H,1-5,7H2


name: Netivudine
cas: 84558-93-0
dtxsid: DTXSID70233545
formula: C12H14N2O6
inchikey: QLOCVMVCRJOTTM-SDNRWEOFSA-N
norman_susdat_id: NS00069208
pubchem_cid: 55281
smiles: CC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O
inchi:
InChI=1S/C12H14N2O6/c1-2-3-6-4-14(12(19)13-10(6)18)11-9(17)8(16)7(5-15)20-11/h4,7-9,11,15-17H,5H2,1H3,(H,13,18,19)/t7-,8-,9+,11-/m1/s1


name: N-[N-[N-[(phenylmethoxy)carbonyl]-L-isoleucyl]glycyl]glycine
cas: 84559-82-0
dtxsid: DTXSID101004840
formula: C18H25N3O6
inchikey: MVTRAKCVUOLTBC-INSVYWFGSA-N
norman_susdat_id: NS00061451
pubchem_cid: NA
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NCC(=O)NCC(=O)O)C(C)CC
inchi:
InChI=1/C18H25N3O6/c1-3-12(2)16(17(25)20-9-14(22)19-10-15(23)24)21-18(26)27-11-13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3,(H,19,22)(H,20,25)(H,21,26)(H,23,24)


cas: 84559-83-1
chemspiderid: 21164236
dtxsid: DTXSID30233546
formula: C42H58Cl3N5O6
inchikey: AMBHRCZUHVVLOU-DHUJRADRSA-N
norman_susdat_id: NS00038550
pubchem_cid: 56842514
smiles: CCCCCCCCCCCCCCCCCCN(C(CC(=O)Nc1cccc(c1)C(=O)NC1=NN(C(=O)C1)c1c(Cl)cc(Cl)cc1Cl)C(=O)O)C(=O)C(C)C
name:
N-(3-(((4,5-Dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl)amino)carbonyl)phenyl)-N2-(2-methylpropionyl)-N2-octadecyl-L-asparagine

inchi:
InChI=1S/C42H58Cl3N5O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-49(41(54)29(2)3)35(42(55)56)27-37(51)46-32-22-20-21-30(24-32)40(53)47-36-28-38(52)50(48-36)39-33(44)25-31(43)26-34(39)45/h20-22,24-26,29,35H,4-19,23,27-28H2,1-3H3,(H,46,51)(H,55,56)(H,47,48,53)/t35-/m0/s1


cas: 84559-86-4
formula: C56H28N4O8
inchikey: SAFYKZNZOYPQPT-UHFFFAOYSA-N
norman_susdat_id: NS00060817
pubchem_cid: 57354271
name:
N,N'-(5,10,15,16,17,22,23,24-octahydro-5,10,15,17,22,24-hexaoxonaphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-4,11-diyl)bis(benzamide)

inchi:
InChI=1/C56H28N4O8/c61-37-21-19-28-22-33-27(23-34(28)47(37)60-56(68)26-12-5-2-6-13-26)18-20-31-40-43-42-38(62)24-35-41(52(64)30-15-8-7-14-29(30)51(35)63)49(42)59-50(43)44-45(48(40)58-46(31)33)54(66)39-32(53(44)65)16-9-17-36(39)57-55(67)25-10-3-1-4-11-25/h1-23,59H,24H2,(H,57,67)(H,60,68)

smiles:
O=C1C=CC2=CC=3C(C=CC=4C3N=C5C=6C(=O)C=7C(=CC=CC7C(=O)C6C=8NC=9C=%10C(=O)C=%11C=CC=CC%11C(=O)C%10CC(=O)C9C8C54)NC(=O)C=%12C=CC=CC%12)=CC2=C1NC(=O)C=%13C=CC=CC%13


name: N,N'-(9,10-Dihydro-4,8-dihydroxy-9,10-dioxoanthracene-1,5-diyl)bis(4-methylbenzamide)
cas: 84559-87-5
chemspiderid: 21164238
dtxsid: DTXSID90233547
formula: C30H22N2O6
inchikey: QFZQJMRTQPNEEZ-UHFFFAOYSA-N
norman_susdat_id: NS00038551
pubchem_cid: 56842568
smiles: Cc1ccc(cc1)C(=O)Nc1c2C(=O)c3c(O)ccc(NC(=O)c4ccc(C)cc4)c3C(=O)c2c(O)cc1
inchi:
InChI=1S/C30H22N2O6/c1-15-3-7-17(8-4-15)29(37)31-19-11-13-21(33)25-23(19)27(35)26-22(34)14-12-20(24(26)28(25)36)32-30(38)18-9-5-16(2)6-10-18/h3-14,33-34H,1-2H3,(H,31,37)(H,32,38)


cas: 84559-89-7
formula: C33H29N3O9S2
inchikey: CJYQTRVFBDJIDD-UHFFFAOYSA-L
norman_susdat_id: NS00061241
pubchem_cid: 3022997
name:
Disodium 5-(benzoylamino)-3-[[3-[4-(tert-butyl)phenoxy]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C33H29N3O9S2.2Na/c1-33(2,3)22-12-14-24(15-13-22)45-25-11-7-10-23(18-25)35-36-30-28(47(42,43)44)17-21-16-26(46(39,40)41)19-27(29(21)31(30)37)34-32(38)20-8-5-4-6-9-20;;/h4-19,37H,1-3H3,(H,34,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC=CC(OC4=CC=C(C=C4)C(C)(C)C)=C3)C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C=5C=CC=CC5


name: Sodium p-[[4-amino-3-(dodecyloxy)-9,10-dihydro-9,10-dioxo-1-anthryl]amino]benzenesulphonate
cas: 84559-90-0
dtxsid: DTXSID50233548
formula: C32H38N2O6S
inchikey: LBLCRHNUPQYRIE-UHFFFAOYSA-M
norman_susdat_id: NS00061242
pubchem_cid: 3019955
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C=3C(=CC(OCCCCCCCCCCCC)=C(N)C13)NC4=CC=C(C=C4)S(=O)(=O)[O-]
inchi:
InChI=1/C32H38N2O6S.Na/c1-2-3-4-5-6-7-8-9-10-13-20-40-27-21-26(34-22-16-18-23(19-17-22)41(37,38)39)28-29(30(27)33)32(36)25-15-12-11-14-24(25)31(28)35;/h11-12,14-19,21,34H,2-10,13,20,33H2,1H3,(H,37,38,39);/q;+1/p-1


cas: 84559-91-1
formula: C34H28N6O16S4.4Li
inchikey: GCHWTOJJMJLKAD-UHFFFAOYSA-J
norman_susdat_id: NS00091148
name:
Tetralithium 6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4-amino-5-hydroxynaphthalene-1,3-disulphonate]

inchi:
InChI=1/C34H28N6O16S4.4Li/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

smiles:
[Li+].[Li+].[Li+].[Li+].COc3cc(ccc3N=Nc2ccc1c(cc(c(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc4c(cc(c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6


name: Stearic acid, compound with N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea (2:1)
cas: 84559-93-3
formula: C19H20N6O.2C18H36O2
inchikey: OKQSPVZOWURCQS-UHFFFAOYSA-N
norman_susdat_id: NS00090476
smiles: CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4
inchi:
InChI=1/C19H20N6O.2C18H36O2/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2*2-17H2,1H3,(H,19,20)


name: Palmitic acid, compound with N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea (2:1)
cas: 84559-94-4
formula: C19H20N6O.2C16H32O2
inchikey: LEXPCVWJGRHEFQ-UHFFFAOYSA-N
norman_susdat_id: NS00090688
smiles: CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4
inchi:
InChI=1/C19H20N6O.2C16H32O2/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2*2-15H2,1H3,(H,17,18)


name: Formic acid, compound with N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea (2:1)
cas: 84559-95-5
formula: C19H20N6O.2CH2O2
inchikey: LWGBOTOGGAKTHU-UHFFFAOYSA-N
norman_susdat_id: NS00090477
smiles: OC=O.OC=O.O=C(Nc1cccc(c1)C2=NCCN2)Nc3cccc(c3)C4=NCCN4
inchi:
InChI=1/C19H20N6O.2CH2O2/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18;2*2-1-3/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26);2*1H,(H,2,3)


name: N-(4-Amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthryl)acetamide
cas: 84560-04-3
chemspiderid: 2286989
dtxsid: DTXSID80233551
formula: C17H14N2O4
inchikey: SVFPILGVWYPIDO-UHFFFAOYSA-N
norman_susdat_id: NS00038554
pubchem_cid: 3019962
smiles: COc1c(N)c2c(c(NC(=O)C)c1)C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C17H14N2O4/c1-8(20)19-11-7-12(23-2)15(18)14-13(11)16(21)9-5-3-4-6-10(9)17(14)22/h3-7H,18H2,1-2H3,(H,19,20)


name: 2-[[4-[[2-chloro-4-(methylsulphonyl)phenyl]azo]-3-methylphenyl]ethylamino]ethanol
cas: 84560-05-4
formula: C18H22ClN3O3S
inchikey: JSZKAMXXRVTMSN-UHFFFAOYSA-N
norman_susdat_id: NS00061243
pubchem_cid: 21149605
smiles: O=S(=O)(C1=CC=C(N=NC2=CC=C(C=C2C)N(CC)CCO)C(Cl)=C1)C
inchi:
InChI=1/C18H22ClN3O3S/c1-4-22(9-10-23)14-5-7-17(13(2)11-14)20-21-18-8-6-15(12-16(18)19)26(3,24)25/h5-8,11-12,23H,4,9-10H2,1-3H3


name: 2-(4,,-Tribromo-3-hydroxyquinolin-2-yl)-1H-indene-1,3(2H)-dione
cas: 84560-06-5
chemspiderid: 57460905
dtxsid: DTXSID40233552
formula: C18H8Br3N1O3
inchikey: ROPYBUNRWPMKDV-UHFFFAOYSA-N
norman_susdat_id: NS00038555
pubchem_cid: 56842633
smiles: Oc1c(Br)c2c(ccc(Br)c2Br)nc1C1C(=O)c2ccccc2C1=O
inchi:
InChI=1S/C18H8Br3NO3/c19-9-5-6-10-11(13(9)20)14(21)18(25)15(22-10)12-16(23)7-3-1-2-4-8(7)17(12)24/h1-6,12,25H


name: 4,4'-((2(Or 4)-methyl-1,3-phenylene)azo)bis(2(or 6)-methylbenzene-1,3-diamine)
cas: 84560-07-6
chemspiderid: 57494898
dtxsid: DTXSID00233553
formula: C21H24N6
inchikey: MOVOTTROWDMWRQ-CYYJNZCTSA-N
norman_susdat_id: NS00038556
pubchem_cid: NA
smiles: Cc1c(N)ccc(N=Nc2cccc(c2C)c2c(N)c(C)c(N)cc2)c1N
inchi:
InChI=1S/C21H24N6/c1-11-14(15-7-8-16(22)12(2)20(15)24)5-4-6-18(11)26-27-19-10-9-17(23)13(3)21(19)25/h4-10H,22-25H2,1-3H3/b27-26+


name: 2-(diethylamino)ethyl a-(2-thienylmethyl)furan-2-propionate hydrochloride
cas: 84560-09-8
dtxsid: DTXSID301004846
formula: C18H25NO3S
inchikey: JMXVIVVNSLWTJU-UHFFFAOYSA-N
norman_susdat_id: NS00062484
pubchem_cid: 56842636
smiles: Cl.O=C(OCCN(CC)CC)C(CC=1OC=CC1)CC=2SC=CC2
inchi:
InChI=1/C18H25NO3S.ClH/c1-3-19(4-2)9-11-22-18(20)15(13-16-7-5-10-21-16)14-17-8-6-12-23-17;/h5-8,10,12,15H,3-4,9,11,13-14H2,1-2H3;1H


cas: 84560-10-1
formula: C38H32N8O17S4
inchikey: JQWSULBBHWHBEU-UHFFFAOYSA-J
norman_susdat_id: NS00061244
pubchem_cid: NA
name:
Tetrasodium 5-(acetamido)-3-[[4-[[4-[[8-(acetamido)-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]-5-methoxy-o-tolyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C38H32N8O17S4.4Na/c1-17-9-27(44-46-36-32(67(60,61)62)13-21-11-25(65(54,55)56)15-29(40-19(3)48)34(21)38(36)50)30(63-4)16-26(17)43-41-22-5-7-23(8-6-22)42-45-35-31(66(57,58)59)12-20-10-24(64(51,52)53)14-28(39-18(2)47)33(20)37(35)49;;;;/h5-16,49-50H,1-4H3,(H,39,47)(H,40,48)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC=C(N=NC=4C=C(OC)C(N=NC=5C(O)=C6C(C=C(C=C6NC(=O)C)S(=O)(=O)[O-])=CC5S(=O)(=O)[O-])=CC4C)C=C3)C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C


name: 2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium thiocyanate
cas: 84560-11-2
formula: C22H25N2.CNS
inchikey: PCCXWQUHLWDNBR-UHFFFAOYSA-M
norman_susdat_id: NS00090694
smiles: CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccccc4C3(C)C.[S-]C#N
inchi:
InChI=1/C22H25N2.CHNS/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;2-1-3/h5-14,16H,15H2,1-4H3;3H/q+1;/p-1


name: 1-Aminobromo-4,8-dihydroxy-5-(methylamino)anthraquinone
cas: 84560-12-3
chemspiderid: 17333706
dtxsid: DTXSID60233554
formula: C15H11Br1N2O4
inchikey: SRBZVJUFHDPRCL-UHFFFAOYSA-N
norman_susdat_id: NS00038557
pubchem_cid: 16205505
smiles: CNc1c2C(=O)c3c(c(N)c(Br)cc3O)C(=O)c2c(O)cc1
inchi:
InChI=1S/C15H11BrN2O4/c1-18-6-2-3-7(19)10-9(6)14(21)11-8(20)4-5(16)13(17)12(11)15(10)22/h2-4,18-20H,17H2,1H3


name: N-(4-Amino-9,10-dihydro-3-methoxy-9,10-dioxoanthryl)propionamide
cas: 84560-13-4
chemspiderid: 4675537
dtxsid: DTXSID20233555
formula: C18H16N2O4
inchikey: NLMCPTOHHZNHMB-UHFFFAOYSA-N
norman_susdat_id: NS00038558
pubchem_cid: 5743850
smiles: CCC(=O)Nc1cc(OC)c(N)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C18H16N2O4/c1-3-13(21)20-11-8-12(24-2)16(19)15-14(11)17(22)9-6-4-5-7-10(9)18(15)23/h4-8H,3,19H2,1-2H3,(H,20,21)


name: N-[5-[bis(3-phenylpropyl)amino]-2-[(2-cyano-4,6-dinitrophenyl)azo]phenyl]acetamide
cas: 84560-14-5
formula: C33H33N7O5
inchikey: QHKDDUCPCAGZJB-UHFFFAOYSA-N
norman_susdat_id: NS00062485
pubchem_cid: 3019966
smiles: N#CC=1C=C(C=C(C1N=NC2=CC=C(C=C2NC(=O)C)N(CCCC=3C=CC=CC3)CCCC=4C=CC=CC4)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C33H31N7O5/c1-24(41)35-31-21-28(16-17-30(31)36-37-33-27(23-34)20-29(39(42)43)22-32(33)40(44)45)38(18-8-14-25-10-4-2-5-11-25)19-9-15-26-12-6-3-7-13-26/h2-7,10-13,16-17,20-22H,8-9,14-15,18-19H2,1H3,(H,35,41)


name: Bitopertin
cas: 845614-11-1
dtxsid: DTXSID80233556
formula: C21H20F7N3O4S
inchikey: YUUGYIUSCYNSQR-LBPRGKRZSA-N
norman_susdat_id: NS00072641
pubchem_cid: 24946690
smiles: C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F
inchi:
InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1


name: 4-[5-(4-bromophenyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]benzene-1-sulfonamide
cas: 845674-84-2
formula: C16H11BrF3N3O2S
inchikey: OYZKFVIVPRQRQQ-UHFFFAOYSA-N
norman_susdat_id: NS00068886
pubchem_cid: 1396
smiles: NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Br)cc2)cc1
inchi:
InChI=1S/C16H11BrF3N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)


cas: 84580-22-3
formula: C34H34N4O7.3K
inchikey: FXSHITMRWXIDER-RUSRHYLNSA-K
norman_susdat_id: NS00090478
name:
Tripotassium (2S-trans)-18-carboxylato-20-(carboxylatomethyl)-13-ethyl-12-formyl-2,3-dihydro-3,7,17-trimethyl-8-vinyl-21H,23H-porphine-2-propionate

inchi:
InChI=1/C34H32N4O7.3K/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;;;/h6,11-14,16,20H,1,7-10H2,2-5H3,(H,40,41)(H,42,43)(H,44,45);;;/q;3*+1/p-3

smiles:
[K+].[K+].[K+].CCC1=C(C=O)C2=NC1=CC3=NC(=C(CC(=O)[O-])C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)[O-])C(=C3C)C(=O)[O-]


cas: 84581-15-7
formula: C34H34N4O7.3Na
inchikey: NULPMJGQMZLWMS-RUSRHYLNSA-K
norman_susdat_id: NS00091182
name:
Trisodium (2S-trans)-18-carboxylato-20-(carboxylatomethyl)-13-ethyl-12-formyl-2,3-dihydro-3,7,17-trimethyl-8-vinyl-21H,23H-porphine-2-propionate

inchi:
InChI=1/C34H32N4O7.3Na/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;;;/h6,11-14,16,20H,1,7-10H2,2-5H3,(H,40,41)(H,42,43)(H,44,45);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].CCC1=C(C=O)C2=NC1=CC3=NC(=C(CC(=O)[O-])C4=NC(=CC5=NC(=C2)C(=C5C)C=C)[C@@H](C)[C@@H]4CCC(=O)[O-])C(=C3C)C(=O)[O-]


cas: 84583-92-6
formula: C26H23N6O14S3
inchikey: MSKPSYHSTBZRNV-UHFFFAOYSA-K
norman_susdat_id: NS00062202
pubchem_cid: NA
name:
Trisodium 5-(acetylamino)-4-hydroxy-3-[[2-methoxy-5-methyl-4-[(4-nitro-2-sulphonatophenyl)azo]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C26H22N6O14S3.3Na/c1-12-6-19(21(46-3)11-18(12)29-28-17-5-4-15(32(35)36)9-22(17)48(40,41)42)30-31-25-23(49(43,44)45)8-14-7-16(47(37,38)39)10-20(27-13(2)33)24(14)26(25)34;;;/h4-11,34H,1-3H3,(H,27,33)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC(=C(N=NC4=CC=C(C=C4S(=O)(=O)[O-])[N+](=O)[O-])C=C3OC)C)C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C


cas: 84583-93-7
formula: C16H13N5O7S.Na
inchikey: YCVTXQPYXXTSCX-UHFFFAOYSA-M
norman_susdat_id: NS00091014
smiles: [Na+].[O-]S(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(O)c(c3)[N+]([O-])=O
name:
Sodium 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-5-nitrobenzenesulphonate

inchi:
InChI=1/C16H13N5O7S.Na/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(29(26,27)28)8-13(15(12)22)21(24)25;/h2-8,14,22H,1H3,(H,26,27,28);/q;+1/p-1


name: 7,7'-Methylenebis(3,4-dihydro-3,3-dimethyl-2H-1,4-benzothiazine)
cas: 84589-11-7
chemspiderid: 15071345
dtxsid: DTXSID20233570
formula: C21H26N2S2
inchikey: RMKZWXPGSUJDMO-UHFFFAOYSA-N
norman_susdat_id: NS00038561
pubchem_cid: 20477974
smiles: CC1(C)CSc2c(N1)ccc(Cc1cc3c(NC(C)(C)CS3)cc1)c2
inchi:
InChI=1S/C21H26N2S2/c1-20(2)12-24-18-10-14(5-7-16(18)22-20)9-15-6-8-17-19(11-15)25-13-21(3,4)23-17/h5-8,10-11,22-23H,9,12-13H2,1-4H3


name: Dihydroandrostendione
cas: 846-46-8
chebiid: CHEBI:15994
chemspiderid: 388422
dtxsid: DTXSID80233576
formula: C19H28O2
inchikey: RAJWOBJTTGJROA-WZNAKSSCSA-N
norman_susdat_id: NS00038595
pubchem_cid: 222865
smiles: C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CCC2=O
inchi:
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1


name: Boldenone
cas: 846-48-0
chebiid: CHEBI:34584
chemspiderid: 12744
dtxsid: DTXSID20894201
formula: C19H26O2
inchikey: RSIHSRDYCUFFLA-DYKIIFRCSA-N
norman_susdat_id: NS00008511
pubchem_cid: 13308
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
inchi:
InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1


name: Lorazepam
cas: 846-49-1
chebiid: CHEBI:6539
chemspiderid: 3821
dtxsid: DTXSID7023225
formula: C15H10Cl2N2O2
inchikey: DIWRORZWFLOCLC-UHFFFAOYSA-N
norman_susdat_id: NS00000034
pubchem_cid: 3958
smiles: c1ccc(c(c1)C2=NC(C(=O)Nc3c2cc(cc3)Cl)O)Cl
inchi:
InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)


name: Temazepam
cas: 846-50-4
chebiid: CHEBI:9435
chemspiderid: 5198
dtxsid: DTXSID8021309
formula: C16H13Cl1N2O2
inchikey: SEQDDYPDSLOBDC-UHFFFAOYSA-N
norman_susdat_id: NS00010416
pubchem_cid: 5391
smiles: CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3
inchi:
InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3


name: CI 10316
cas: 846-70-8
chebiid: CHEBI:87221
chemspiderid: 9809
formula: C10H6N2O8S1
inchikey: FCQJEPASRCXVCB-UHFFFAOYSA-N
norman_susdat_id: NS00013465
pubchem_cid: 10226
smiles: [Na+].[O-]c1c2cc(ccc2c(cc1[N+]([O-])=O)[N+]([O-])=O)[S]([O-])(=O)=O
inchi:
InChI=1S/C10H6N2O8S.Na/c13-10-7-3-5(21(18,19)20)1-2-6(7)8(11(14)15)4-9(10)12(16)17;/h1-4,13H,(H,18,19,20);/q;+1/p-2


name: 1-[3-(2-Methoxy-5-nitrophenoxy)propyl]-4-methylpiperazine
cas: 846023-54-9
chemspiderid: 24609224
dtxsid: DTXSID60676922
formula: C15H23N3O4
inchikey: GIODEEXALCHTQP-UHFFFAOYSA-N
norman_susdat_id: NS00005104
pubchem_cid: 46864058
smiles: COc1ccc(cc1OCCCN1CCN(C)CC1)[N+]([O-])=O
inchi:
InChI=1S/C15H23N3O4/c1-16-7-9-17(10-8-16)6-3-11-22-15-12-13(18(19)20)4-5-14(15)21-2/h4-5,12H,3,6-11H2,1-2H3


name: Npbn
cas: 846032-02-8
formula: C26H30N4O2
inchikey: QGNOXTFZOLDODX-UHFFFAOYSA-N
norman_susdat_id: NS00072137
pubchem_cid: 11697676
smiles: O=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)nc2N1
inchi:
InChI=1S/C26H30N4O2/c31-24-12-10-21-11-13-25(28-26(21)27-24)32-19-4-3-14-29-15-17-30(18-16-29)23-9-5-7-20-6-1-2-8-22(20)23/h1-2,5-9,11,13H,3-4,10,12,14-19H2,(H,27,28,31)


name: 3-chloro-4-(hexahydro-1H-azepin-1-yl)benzenediazonium hexafluorophosphate
cas: 84604-32-0
formula: C12H15ClN3.F6P
inchikey: MCLFXNMQLQYWFW-UHFFFAOYSA-N
norman_susdat_id: NS00090536
smiles: F[P-](F)(F)(F)(F)F.Clc1cc(ccc1N2CCCCCC2)[N+]#N
inchi:
InChI=1/C12H15ClN3.F6P/c13-11-9-10(15-14)5-6-12(11)16-7-3-1-2-4-8-16;1-7(2,3,4,5)6/h5-6,9H,1-4,7-8H2;/q+1;-1


name: 2-[[4-(morpholino)phenyl]azo]acetoacetanilide
cas: 84604-33-1
formula: C20H22N4O3
inchikey: CPMFUSJRVHGYCR-UHFFFAOYSA-N
norman_susdat_id: NS00061143
pubchem_cid: 3019970
smiles: O=C(NC=1C=CC=CC1)C(N=NC2=CC=C(C=C2)N3CCOCC3)C(=O)C
inchi:
InChI=1/C20H22N4O3/c1-15(25)19(20(26)21-16-5-3-2-4-6-16)23-22-17-7-9-18(10-8-17)24-11-13-27-14-12-24/h2-10,19H,11-14H2,1H3,(H,21,26)


name: N-(benzyl)-2-[[4-(morpholino)phenyl]azo]-3-oxobutyramide
cas: 84604-34-2
formula: C21H24N4O3
inchikey: KSZYVSZMZJOOJU-UHFFFAOYSA-N
norman_susdat_id: NS00060542
pubchem_cid: 3019971
smiles: O=C(NCC=1C=CC=CC1)C(N=NC2=CC=C(C=C2)N3CCOCC3)C(=O)C
inchi:
InChI=1/C21H24N4O3/c1-16(26)20(21(27)22-15-17-5-3-2-4-6-17)24-23-18-7-9-19(10-8-18)25-11-13-28-14-12-25/h2-10,20H,11-15H2,1H3,(H,22,27)


name: 2-[[3-chloro-4-(diethylamino)phenyl]azo]-3-oxo-N-phenylbutyramide
cas: 84604-35-3
formula: C20H23ClN4O2
inchikey: GYMUHTPDPOAHMH-UHFFFAOYSA-N
norman_susdat_id: NS00060543
pubchem_cid: 3019972
smiles: O=C(NC=1C=CC=CC1)C(N=NC2=CC=C(C(Cl)=C2)N(CC)CC)C(=O)C
inchi:
InChI=1/C20H23ClN4O2/c1-4-25(5-2)18-12-11-16(13-17(18)21)23-24-19(14(3)26)20(27)22-15-9-7-6-8-10-15/h6-13,19H,4-5H2,1-3H3,(H,22,27)


name: 3-hydroxy-N,N-bis(2-hydroxyethyl)-4-[[4-(phenylamino)phenyl]azo]naphthalene-2-carboxamide
cas: 84604-36-4
formula: C27H26N4O4
inchikey: GSDYPODKQKTVJB-UHFFFAOYSA-N
norman_susdat_id: NS00061001
pubchem_cid: 3019973
smiles: O=C(C1=CC=2C=CC=CC2C(N=NC3=CC=C(C=C3)NC=4C=CC=CC4)=C1O)N(CCO)CCO
inchi:
InChI=1/C27H26N4O4/c32-16-14-31(15-17-33)27(35)24-18-19-6-4-5-9-23(19)25(26(24)34)30-29-22-12-10-21(11-13-22)28-20-7-2-1-3-8-20/h1-13,18,28,32-34H,14-17H2


name: 4-(((7-Hydroxy-1-naphthyl)amino)acetyl)morpholine
cas: 84604-37-5
chemspiderid: 2286997
dtxsid: DTXSID30233581
formula: C16H18N2O3
inchikey: SALMMXBIIDVDTN-UHFFFAOYSA-N
norman_susdat_id: NS00038566
pubchem_cid: 3019974
smiles: Oc1cc2c(cccc2NCC(=O)N2CCOCC2)cc1
inchi:
InChI=1S/C16H18N2O3/c19-13-5-4-12-2-1-3-15(14(12)10-13)17-11-16(20)18-6-8-21-9-7-18/h1-5,10,17,19H,6-9,11H2


name: [2-(4-benzoyl-3-hydroxyphenoxy)ethyl]triethylammonium bromide
cas: 84604-79-5
dtxsid: DTXSID701004898
formula: C21H28NO3
inchikey: KDVPCCLIBMLEJG-UHFFFAOYSA-N
norman_susdat_id: NS00060191
pubchem_cid: 3019997
smiles: [Br-].O=C(C=1C=CC=CC1)C2=CC=C(OCC[N+](CC)(CC)CC)C=C2O
inchi:
InChI=1/C21H27NO3.BrH/c1-4-22(5-2,6-3)14-15-25-18-12-13-19(20(23)16-18)21(24)17-10-8-7-9-11-17;/h7-13,16H,4-6,14-15H2,1-3H3;1H


name: Sodium (4-hydroxyphenyl)[(phenylacetyl)amino]acetate
cas: 84604-81-9
formula: C16H15NO4.Na
inchikey: SSQICCSBOZHERJ-UHFFFAOYSA-M
norman_susdat_id: NS00090167
smiles: [Na+].Oc1ccc(cc1)C(NC(=O)Cc2ccccc2)C(=O)[O-]
inchi:
InChI=1/C16H15NO4.Na/c18-13-8-6-12(7-9-13)15(16(20)21)17-14(19)10-11-4-2-1-3-5-11;/h1-9,15,18H,10H2,(H,17,19)(H,20,21);/q;+1/p-1


name: [4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl] (4-methylphenyl) ketone hydrochloride
cas: 84604-83-1
dtxsid: DTXSID201004900
formula: C20H25NO3
inchikey: OQHOMAPBCAZVBZ-UHFFFAOYSA-N
norman_susdat_id: NS00059585
pubchem_cid: 3020002
smiles: Cl.O=C(C1=CC=C(C=C1)C)C2=CC=C(OCCN(CC)CC)C=C2O
inchi:
InChI=1/C20H25NO3.ClH/c1-4-21(5-2)12-13-24-17-10-11-18(19(22)14-17)20(23)16-8-6-15(3)7-9-16;/h6-11,14,22H,4-5,12-13H2,1-3H3;1H


name: 2,2'-Thiobis(4-tert-butyl-3,6-xylenol)
cas: 84604-87-5
chemspiderid: 57494960
dtxsid: DTXSID90233603
formula: C24H34O2S1
inchikey: FUPTXWRHSGBTAD-UHFFFAOYSA-N
norman_susdat_id: NS00038581
pubchem_cid: 44150263
smiles: Cc1c(O)c(Sc2c(C)c(cc(C)c2O)C(C)(C)C)c(C)c(c1)C(C)(C)C
inchi:
InChI=1S/C24H34O2S/c1-13-11-17(23(5,6)7)15(3)21(19(13)25)27-22-16(4)18(24(8,9)10)12-14(2)20(22)26/h11-12,25-26H,1-10H3


name: 4,4'-Methylenebis(6-tert-butyl-2,3-xylenol)
cas: 84604-88-6
chemspiderid: NA
dtxsid: DTXSID50233604
formula: C25H36O2
inchikey: WWJFRZVPENPMEQ-UHFFFAOYSA-N
norman_susdat_id: NS00038582
pubchem_cid: 44145130
smiles: Cc1c(C)c(O)c(cc1Cc1cc(c(O)c(C)c1C)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C25H36O2/c1-14-16(3)22(26)20(24(5,6)7)12-18(14)11-19-13-21(25(8,9)10)23(27)17(4)15(19)2/h12-13,26-27H,11H2,1-10H3


name: 1,3,5-Triheptylhexahydro-1,3,5-triazine
cas: 84604-93-3
chemspiderid: 10144230
dtxsid: DTXSID50233609
formula: C24H51N3
inchikey: MRRLWMPJSDXXFC-UHFFFAOYSA-N
norman_susdat_id: NS00038587
pubchem_cid: 11970849
smiles: CCCCCCCN1CN(CCCCCCC)CN(CCCCCCC)C1
inchi:
InChI=1S/C24H51N3/c1-4-7-10-13-16-19-25-22-26(20-17-14-11-8-5-2)24-27(23-25)21-18-15-12-9-6-3/h4-24H2,1-3H3


cas: 84604-94-4
dtxsid: DTXSID60233610
formula: C29H37NO4
inchikey: NODMFCLYPDIFHV-UHFFFAOYSA-N
norman_susdat_id: NS00060129
pubchem_cid: 44145920
smiles: O=C1C=C(OC=2C=CC=CC12)C(=O)C=3C=C(C(OCCCN(CCCC)CCCC)=C(C3)C)C.O=C(O)CCC(=O)O
name:
Succinic acid, compound with 2-[4-[3-(dibutylamino)propoxy]-3,5-dimethylbenzoyl]-4H-1-benzopyran-4-one (1:1)

inchi:
InChI=1/C29H37NO4.C4H6O4/c1-5-7-14-30(15-8-6-2)16-11-17-33-29-21(3)18-23(19-22(29)4)28(32)27-20-25(31)24-12-9-10-13-26(24)34-27;5-3(6)1-2-4(7)8/h9-10,12-13,18-20H,5-8,11,14-17H2,1-4H3;1-2H2,(H,5,6)(H,7,8)


name: Phenyl 4-phenyl-1-(phenylmethyl)-4-piperidyl ketone
cas: 84604-98-8
chemspiderid: 91050
dtxsid: DTXSID20233611
formula: C25H25N1O1
inchikey: RLRNRKZKGUMSLV-UHFFFAOYSA-N
norman_susdat_id: NS00038588
pubchem_cid: 100770
smiles: O=C(c1ccccc1)C1(CCN(Cc2ccccc2)CC1)c1ccccc1
inchi:
InChI=1S/C25H25NO/c27-24(22-12-6-2-7-13-22)25(23-14-8-3-9-15-23)16-18-26(19-17-25)20-21-10-4-1-5-11-21/h1-15H,16-20H2


cas: 84605-00-5
dtxsid: DTXSID601004902
formula: C20H7BrCl12NO2
inchikey: PQCIWCLZNVPWIH-UHFFFAOYSA-N
norman_susdat_id: NS00060130
pubchem_cid: 99936
smiles: O=[N+]([O-])C=1C=C2C(=CC1Br)C3C(C4C2C5(Cl)C(Cl)=C(Cl)C4(Cl)C5(Cl)Cl)C6(Cl)C(Cl)=C(Cl)C3(Cl)C6(Cl)Cl
name:
10-bromo-1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4-5,8-dimethanotriphenylene

inchi:
InChI=1/C20H6BrCl12NO2/c21-5-1-3-4(2-6(5)34(35)36)8-10(18(29)14(25)12(23)16(8,27)20(18,32)33)9-7(3)15(26)11(22)13(24)17(9,28)19(15,30)31/h1-2,7-10H


name: Furafylline
cas: 84605-06-1
chebiid: CHEBI:165840
dtxsid: DTXSID2045153
formula: C12H12N4O3
inchikey: KGQZGCIVHYLPBH-UHFFFAOYSA-N
norman_susdat_id: NS00096958
smiles: CC1=NC2=C(N1)C(=O)N(C(=O)N2CC3=CC=CO3)C
inchi:
InChI=1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14)


name: Docos-13-enyl docos-13-enoate
cas: 84605-12-9
formula: C44H84O2
inchikey: BZUVPTAFNJMPEZ-UHFFFAOYSA-N
norman_susdat_id: NS00090635
smiles: CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C44H84O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-43H2,1-2H3


name: 2-(2-(2-(Tetradecyloxy)ethoxy)ethoxy)ethyl laurate
cas: 84605-13-0
chemspiderid: 2287026
dtxsid: DTXSID60233615
formula: C32H64O5
inchikey: LLMYKCFFGJIPLB-UHFFFAOYSA-N
norman_susdat_id: NS00013866
pubchem_cid: 3020007
smiles: CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C32H64O5/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-34-26-27-35-28-29-36-30-31-37-32(33)24-22-20-18-16-12-10-8-6-4-2/h3-31H2,1-2H3


name: 2-(2-(2-(Tetradecyloxy)ethoxy)ethoxy)ethyl palmitate
cas: 84605-14-1
chemspiderid: 2287027
dtxsid: DTXSID20233616
formula: C36H72O5
inchikey: YQHRLGWKUFGMKU-UHFFFAOYSA-N
norman_susdat_id: NS00013867
pubchem_cid: 3020008
smiles: CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCCCCCCCCCCCCC
inchi:
InChI=1S/C36H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-36(37)41-35-34-40-33-32-39-31-30-38-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-35H2,1-2H3


name: 2-hydroxy-3-(oleoyloxy)propyl 5-oxo-L-prolinate
cas: 84608-82-2
formula: C26H45NO6
inchikey: XHJMSYVAXZRKDC-VTWISFAYSA-N
norman_susdat_id: NS00059611
pubchem_cid: 44149160
smiles: O=C(OCC(O)COC(=O)C1NC(=O)CC1)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C26H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(30)32-20-22(28)21-33-26(31)23-18-19-24(29)27-23/h9-10,22-23,28H,2-8,11-21H2,1H3,(H,27,29)


name: 1-methyl-1,2-ethanediyl bis(p-methoxycinnamate)
cas: 84625-55-8
formula: C23H24O6
inchikey: HKNBZMRXMRPLMG-VOMDNODZSA-N
norman_susdat_id: NS00059631
pubchem_cid: 44145505
smiles: O=C(OCC(OC(=O)C=CC1=CC=C(OC)C=C1)C)C=CC2=CC=C(OC)C=C2
inchi:
InChI=1/C23H24O6/c1-17(29-23(25)15-9-19-6-12-21(27-3)13-7-19)16-28-22(24)14-8-18-4-10-20(26-2)11-5-18/h4-15,17H,16H2,1-3H3


cas: 84625-57-0
chemspiderid: 11556126
dtxsid: DTXSID50233629
formula: C32H32O9
inchikey: SYYIUDGACHQXAN-UHFFFAOYSA-N
norman_susdat_id: NS00038591
pubchem_cid: 44153924
smiles: CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c1c(C)cc2c(C(C)C)c(O)c(OC(=O)C)c(C=O)c2c1O
name:
1,1',6,6',7,7'-Hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl(2,2'-binaphthalene)-8,8'-dicarbaldehyde monoacetate

inchi:
InChI=1S/C32H32O9/c1-12(2)21-17-8-14(5)23(28(37)25(17)19(10-33)27(36)30(21)39)24-15(6)9-18-22(13(3)4)31(40)32(41-16(7)35)20(11-34)26(18)29(24)38/h8-13,36-40H,1-7H3


name: Dotarizine
cas: 84625-59-2
chebiid: CHEBI:138033
dtxsid: DTXSID60233630
formula: C29H34N2O2
inchikey: LRMJAFKKJLRDLE-UHFFFAOYSA-N
norman_susdat_id: NS00071660
pubchem_cid: 55285
smiles: c1ccc(C(c2ccccc2)N2CCN(CCCC3(c4ccccc4)OCCO3)CC2)cc1
inchi:
InChI=1S/C29H34N2O2/c1-4-11-25(12-5-1)28(26-13-6-2-7-14-26)31-21-19-30(20-22-31)18-10-17-29(32-23-24-33-29)27-15-8-3-9-16-27/h1-9,11-16,28H,10,17-24H2


name: 1-benzyl-4,5-dihydro-1-(2-hydroxyethyl)-2-(15-methylhexadecyl)-1H-imidazolium chloride
cas: 84625-60-5
formula: C29H51N2O
inchikey: IZHSCDOXRKNGBC-UHFFFAOYSA-M
norman_susdat_id: NS00060240
pubchem_cid: 105488
smiles: [Cl-].OCC[N+]1(C(=NCC1)CCCCCCCCCCCCCCC(C)C)CC=2C=CC=CC2
inchi:
InChI=1/C29H51N2O.ClH/c1-27(2)18-14-11-9-7-5-3-4-6-8-10-12-17-21-29-30-22-23-31(29,24-25-32)26-28-19-15-13-16-20-28;/h13,15-16,19-20,27,32H,3-12,14,17-18,21-26H2,1-2H3;1H/q+1;/p-1


name: Itraconazole
cas: 84625-61-6
chebiid: CHEBI:6076
chemspiderid: 49927
dtxsid: DTXSID3023180
formula: C35H38Cl2N8O4
inchikey: VHVPQPYKVGDNFY-ZPGVKDDISA-N
norman_susdat_id: NS00003507
pubchem_cid: 55283
smiles: CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O
inchi:
InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1


name: 1(3H)-Isobenzofuranone, 3,3-bis(6-hydroxy[1,1'-biphenyl]-3-yl)-
cas: 84627-12-3
dtxsid: DTXSID80897410
formula: C32H22O4
inchikey: TYHJGSAUZOLXEM-UHFFFAOYSA-N
norman_susdat_id: NS00093676
smiles: OC1=C(C=C(C=C1)C1(OC(=O)C2=C1C=CC=C2)C1=CC(=C(O)C=C1)C1=CC=CC=C1)C1=CC=CC=C1
inchi:
InChI=1S/C32H22O4/c33-29-17-15-23(19-26(29)21-9-3-1-4-10-21)32(28-14-8-7-13-25(28)31(35)36-32)24-16-18-30(34)27(20-24)22-11-5-2-6-12-22/h1-20,33-34H


name: Pigment Red 254
cas: 84632-65-5
chemspiderid: 4590420
dtxsid: DTXSID5044736
formula: C18H10Cl2N2O2
inchikey: JNNHVXMCVRYTTN-UHFFFAOYSA-N
norman_susdat_id: NS00006837
pubchem_cid: 5490942
smiles: Clc1ccc(cc1)C1=C2C(=O)NC(=C2C(=O)N1)c1ccc(Cl)cc1
inchi:
InChI=1S/C18H10Cl2N2O2/c19-11-5-1-9(2-6-11)15-13-14(18(24)21-15)16(22-17(13)23)10-3-7-12(20)8-4-10/h1-8H,(H,21,24)(H,22,23)


name: 2,5-Dihydro-3,6-di-p-tolylpyrrolo(3,4-C)pyrrole-1,4-dione
cas: 84632-66-6
chemspiderid: 13273408
dtxsid: DTXSID00233634
formula: C20H16N2O2
inchikey: JFCVZQUZTJIYBP-UHFFFAOYSA-N
norman_susdat_id: NS00019852
pubchem_cid: 15883808
smiles: Cc1ccc(cc1)c1c2c(=O)[nH]c(c2c(=O)[nH]1)c1ccc(C)cc1
inchi:
InChI=1S/C20H16N2O2/c1-11-3-7-13(8-4-11)17-15-16(20(24)21-17)18(22-19(15)23)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,21,24)(H,22,23)


cas: 84633-54-5
norman_susdat_id: NS00113631
name:
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1-[2-[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-2-(hydroxymethyl)-1,3-propanediyl] ester


name: (octahydro-4,7-methano-1H-inden-5-yl)methyl 2-ethylhexanoate
cas: 84642-67-1
dtxsid: DTXSID701004931
formula: C19H32O2
inchikey: GWEYJKIUFUDTRJ-UHFFFAOYSA-N
norman_susdat_id: NS00060222
pubchem_cid: 44149086
smiles: O=C(OCC1CC2CC1C3CCCC23)C(CC)CCCC
inchi:
InChI=1/C19H32O2/c1-3-5-7-13(4-2)19(20)21-12-15-10-14-11-18(15)17-9-6-8-16(14)17/h13-18H,3-12H2,1-2H3


name: 1,3-diamino-7-(diethylammonio)-4-methylphenoxazin-5-ium tetrachlorozincate(2-)
cas: 84642-69-3
formula: C17H21N4O
inchikey: MJQMEHNJPRMZLG-UHFFFAOYSA-K
norman_susdat_id: NS00061359
pubchem_cid: NA
smiles: Cl[Zn-2](Cl)(Cl)Cl.N=1C2=CC=C(C=C2[O+]=C3C1C(N)=CC(N)=C3C)[NH+](CC)CC
inchi:
InChI=1/C17H21N4O.4ClH.Zn/c1-4-21(5-2)11-6-7-14-15(8-11)22-17-10(3)12(18)9-13(19)16(17)20-14;;;;;/h6-9H,4-5,18-19H2,1-3H3;4*1H;/q+1;;;;;+2/p-3/rC17H21N4O.Cl4Zn/c1-4-21(5-2)11-6-7-14-15(8-11)22-17-10(3)12(18)9-13(19)16(17)20-14;1-5(2,3)4/h6-9H,4-5,18-19H2,1-3H3;/q+1;-2/p+1


name: Tris(2-propylphenyl) phosphate
cas: 84642-70-6
dtxsid: DTXSID70233646
formula: C27H33O4P
inchikey: FPIUEVPELBLXGL-UHFFFAOYSA-N
norman_susdat_id: NS00059656
pubchem_cid: 96337
smiles: O=P(OC=1C=CC=CC1CCC)(OC=2C=CC=CC2CCC)OC=3C=CC=CC3CCC
inchi:
InChI=1/C27H33O4P/c1-4-13-22-16-7-10-19-25(22)29-32(28,30-26-20-11-8-17-23(26)14-5-2)31-27-21-12-9-18-24(27)15-6-3/h7-12,16-21H,4-6,13-15H2,1-3H3


name: Tris(4-ethyl-o-tolyl) phosphate
cas: 84642-71-7
dtxsid: DTXSID30233647
formula: C27H33O4P
inchikey: YDQQYNDAEWDGSA-UHFFFAOYSA-N
norman_susdat_id: NS00061360
pubchem_cid: 3020018
smiles: O=P(OC1=CC=C(C=C1C)CC)(OC2=CC=C(C=C2C)CC)OC3=CC=C(C=C3C)CC
inchi:
InChI=1/C27H33O4P/c1-7-22-10-13-25(19(4)16-22)29-32(28,30-26-14-11-23(8-2)17-20(26)5)31-27-15-12-24(9-3)18-21(27)6/h10-18H,7-9H2,1-6H3


name: HYDROXYCETYL HYDRO- XYETHYL DIMONIUM CHLORIDE
cas: 84643-53-8
chemspiderid: 2287038
formula: C20H44N1O2
inchikey: SKHXKLYFBLSNDZ-UHFFFAOYSA-N
norman_susdat_id: NS00013754
pubchem_cid: 3020020
smiles: [Cl-].CCCCCCCCCCCCCCC(O)C[N+](C)(C)CCO
inchi:
InChI=1S/C20H44NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19-21(2,3)17-18-22;/h20,22-23H,4-19H2,1-3H3;1H/q+1;/p-1


name: 1-((4-(1,1-Dimethylethyl)phenyl)thio)-5-(phenylthio)anthraquinone
cas: 84674-65-7
chemspiderid: 14994139
dtxsid: DTXSID00233654
formula: C30H24O2S2
inchikey: ICQYRMKYGAVTCP-UHFFFAOYSA-N
norman_susdat_id: NS00038597
pubchem_cid: 14692585
smiles: CC(C)(C)c1ccc(Sc2c3C(=O)c4c(c(Sc5ccccc5)ccc4)C(=O)c3ccc2)cc1
inchi:
InChI=1S/C30H24O2S2/c1-30(2,3)19-15-17-21(18-16-19)34-25-14-8-12-23-27(25)29(32)22-11-7-13-24(26(22)28(23)31)33-20-9-5-4-6-10-20/h4-18H,1-3H3


cas: 84681-80-1
formula: C16H12N4O9S2.3/2Ba
inchikey: DSBFRXORYMVRJH-UHFFFAOYSA-H
norman_susdat_id: NS00090573
name:
Barium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-4-[(4-sulphonatophenyl)azo]-1H-pyrazole-3-carboxylate (3:2)

inchi:
InChI=1/2C16H12N4O9S2.3Ba/c2*21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h2*1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;;3*+2/p-6

smiles:
[Ba].[Ba].[Ba].[O-]S(=O)(=O)c1ccc(cc1)N=NC3C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)\C([O-])=O.[O-]S(=O)(=O)c1ccc(cc1)N=NC3\C(=N/N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C([O-])=O


cas: 84681-81-2
formula: C16H12Cl2N4O7S2.Ba
inchikey: DAXHSWBKGACBIT-UHFFFAOYSA-L
norman_susdat_id: NS00090574
smiles: [Ba+2].[O-]S(=O)(=O)c1ccc(cc1)N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O
name:
Barium 2,5-dichloro-4-[4,5-dihydro-3-methyl-5-oxo-4-[(4-sulphonatophenyl)azo]-1H-pyrazol-1-yl]benzenesulphonate

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


name: Trialuminium bis[5-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]salicylate]
cas: 84681-82-3
formula: C19H14N4O6S.2/3Al
inchikey: YOWDDTLZACOIAM-UHFFFAOYSA-J
norman_susdat_id: NS00090089
inchi:
InChI=1/2C19H14N4O6S.3Al/c2*24-18-10-7-15(11-17(18)19(25)26)23-22-13-3-1-12(2-4-13)20-21-14-5-8-16(9-6-14)30(27,28)29;;;/h2*1-11,24H,(H,25,26)(H,27,28,29);;;/q;;3*+3/p-4

smiles:
[Al+3].[Al+3].[Al+3].O=C([O-])c1cc(ccc1O)N=Nc3ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)cc3.[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3ccc(O)c(c3)C([O-])=O


name: Magnesium 9,10-dihydroxyoctadecanoate (1:2)
cas: 84682-00-8
formula: C18H36O4.1/2Mg
inchikey: YZIGJXSIBVSAPN-UHFFFAOYSA-L
norman_susdat_id: NS00090090
smiles: [MgH2].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H36O4.Mg.2H/c2*1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;;;/h2*16-17,19-20H,2-15H2,1H3,(H,21,22);;;/q;;+2;;/p-2/r2C18H36O4.H2Mg/c2*1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;/h2*16-17,19-20H,2-15H2,1H3,(H,21,22);1H2/q;;+2/p-2


name: Docosyl 12-hydroxyoctadecanoate
cas: 84682-02-0
formula: C40H80O3
inchikey: FMFCOGKGIKFFSQ-UHFFFAOYSA-N
norman_susdat_id: NS00060030
pubchem_cid: 3020031
smiles: O=C(OCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCC(O)CCCCCC
inchi:
InChI=1/C40H80O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-30-34-38-43-40(42)37-33-29-26-23-22-25-28-32-36-39(41)35-31-8-6-4-2/h39,41H,3-38H2,1-2H3


cas: 84682-04-2
formula: C32H24Cl2N8O8S2
inchikey: BWXBPTMCPUVVKC-UHFFFAOYSA-N
norman_susdat_id: NS00061102
pubchem_cid: 91982262
name:
4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis[azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[benzenesulphonic] acid

inchi:
InChI=1/C32H24Cl2N8O8S2/c1-17-29(31(43)41(39-17)21-5-9-23(10-6-21)51(45,46)47)37-35-27-13-3-19(15-25(27)33)20-4-14-28(26(34)16-20)36-38-30-18(2)40-42(32(30)44)22-7-11-24(12-8-22)52(48,49)50/h3-16,29-30H,1-2H3,(H,45,46,47)(H,48,49,50)

smiles:
O=C1N(N=C(C)C1N=NC=2C=CC(=CC2Cl)C3=CC=C(N=NC4C(=O)N(N=C4C)C5=CC=C(C=C5)S(=O)(=O)O)C(Cl)=C3)C6=CC=C(C=C6)S(=O)(=O)O


cas: 84682-05-3
formula: C34H30N8O10S2
inchikey: XRJUVYVTHVSJCO-UHFFFAOYSA-N
norman_susdat_id: NS00060049
pubchem_cid: 91982256
name:
4,4'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis(benzenesulphonic) acid

inchi:
InChI=1/C34H30N8O10S2/c1-19-31(33(43)41(39-19)23-7-11-25(12-8-23)53(45,46)47)37-35-27-15-5-21(17-29(27)51-3)22-6-16-28(30(18-22)52-4)36-38-32-20(2)40-42(34(32)44)24-9-13-26(14-10-24)54(48,49)50/h5-18,31-32H,1-4H3,(H,45,46,47)(H,48,49,50)

smiles:
O=C1N(N=C(C)C1N=NC=2C=CC(=CC2OC)C3=CC=C(N=NC4C(=O)N(N=C4C)C5=CC=C(C=C5)S(=O)(=O)O)C(OC)=C3)C6=CC=C(C=C6)S(=O)(=O)O


name: 4,4'-bis[[1-[[(2-chlorophenyl)amino]carbonyl]-2-oxopropyl]azo][1,1'-biphenyl]-2,2'-disulphonic acid
cas: 84682-06-4
formula: C32H26Cl2N6O10S2
inchikey: QXCZMNROCAUFDQ-UHFFFAOYSA-N
norman_susdat_id: NS00061103
pubchem_cid: 44153877
inchi:
InChI=1/C32H26Cl2N6O10S2/c1-17(41)29(31(43)35-25-9-5-3-7-23(25)33)39-37-19-11-13-21(27(15-19)51(45,46)47)22-14-12-20(16-28(22)52(48,49)50)38-40-30(18(2)42)32(44)36-26-10-6-4-8-24(26)34/h3-16,29-30H,1-2H3,(H,35,43)(H,36,44)(H,45,46,47)(H,48,49,50)

smiles:
O=C(NC=1C=CC=CC1Cl)C(N=NC=2C=CC(C3=CC=C(N=NC(C(=O)NC=4C=CC=CC4Cl)C(=O)C)C=C3S(=O)(=O)O)=C(C2)S(=O)(=O)O)C(=O)C


cas: 84682-07-5
formula: C32H26N8O14S4
inchikey: OLVWUHJTNDWHFJ-UHFFFAOYSA-N
norman_susdat_id: NS00060050
pubchem_cid: 166352
name:
4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-2,2'-disulphonic acid

inchi:
InChI=1/C32H26N8O14S4/c1-17-29(31(41)39(37-17)21-5-9-23(10-6-21)55(43,44)45)35-33-19-3-13-25(27(15-19)57(49,50)51)26-14-4-20(16-28(26)58(52,53)54)34-36-30-18(2)38-40(32(30)42)22-7-11-24(12-8-22)56(46,47)48/h3-16,29-30H,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)

smiles:
O=C1N(N=C(C)C1N=NC=2C=CC(C3=CC=C(N=NC4C(=O)N(N=C4C)C5=CC=C(C=C5)S(=O)(=O)O)C=C3S(=O)(=O)O)=C(C2)S(=O)(=O)O)C6=CC=C(C=C6)S(=O)(=O)O


cas: 84682-09-7
formula: C17H15ClN4O7S2
inchikey: WAVLNUUFXMKMFK-UHFFFAOYSA-N
norman_susdat_id: NS00059456
pubchem_cid: 3020032
smiles: O=C1N(N=C(C)C1N=NC2=CC(Cl)=C(C=C2S(=O)(=O)O)C)C3=CC=C(C=C3)S(=O)(=O)O
name:
6-chloro-4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]toluene-3-sulphonic acid

inchi:
InChI=1/C17H15ClN4O7S2/c1-9-7-15(31(27,28)29)14(8-13(9)18)19-20-16-10(2)21-22(17(16)23)11-3-5-12(6-4-11)30(24,25)26/h3-8,16H,1-2H3,(H,24,25,26)(H,27,28,29)


name: 5-Nitro-2-phenoxytoluene alpha-sulphonamide
cas: 84682-21-3
chemspiderid: 35801205
dtxsid: DTXSID60233670
formula: C13H12N2O5S1
inchikey: YKCBEQBMEBKXJT-UHFFFAOYSA-N
norman_susdat_id: NS00038606
pubchem_cid: 44148669
smiles: NS(=O)(=O)Cc1c(Oc2ccccc2)ccc(c1)[N+](=O)[O-]
inchi:
InChI=1S/C13H12N2O5S/c14-21(18,19)9-10-8-11(15(16)17)6-7-13(10)20-12-4-2-1-3-5-12/h1-8H,9H2,(H2,14,18,19)


name: Ethyl cis-4-[(4-chloro-2-nitrophenyl)amino]-3-hydroxypiperidine-1-carboxylate
cas: 84682-25-7
dtxsid: DTXSID301004977
formula: C14H19ClN3O5
inchikey: ZNRFAHRTOBFRME-YPMHNXCESA-N
norman_susdat_id: NS00060076
pubchem_cid: 21149608
smiles: O=C(OCC)N1CCC(NC2=CC=C(Cl)C=C2[N+](=O)[O-])C(O)C1
inchi:
InChI=1/C14H18ClN3O5/c1-2-23-14(20)17-6-5-11(13(19)8-17)16-10-4-3-9(15)7-12(10)18(21)22/h3-4,7,11,13,16,19H,2,5-6,8H2,1H3


name: N-(4,4'-Dinitro(1,1'-biphenyl)-2-yl)benzamide
cas: 84682-33-7
chemspiderid: 3059657
dtxsid: DTXSID80233677
formula: C19H13N3O5
inchikey: SXHSXUJZDOVNJP-UHFFFAOYSA-N
norman_susdat_id: NS00038611
pubchem_cid: 3833798
smiles: [O-][N+](=O)c1ccc(cc1)c1c(NC(=O)c2ccccc2)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C19H13N3O5/c23-19(14-4-2-1-3-5-14)20-18-12-16(22(26)27)10-11-17(18)13-6-8-15(9-7-13)21(24)25/h1-12H,(H,20,23)


name: 2,2',2''-[(methylsilylidyne)tris(oxy)]trisbenzoic acid
cas: 84682-34-8
dtxsid: DTXSID40233678
formula: C22H18O9Si
inchikey: QJYASQZIMJOMOG-UHFFFAOYSA-N
norman_susdat_id: NS00060098
pubchem_cid: 44153643
smiles: O=C(O)C=1C=CC=CC1O[Si](OC=2C=CC=CC2C(=O)O)(OC=3C=CC=CC3C(=O)O)C
inchi:
InChI=1/C22H18O9Si/c1-32(29-17-11-5-2-8-14(17)20(23)24,30-18-12-6-3-9-15(18)21(25)26)31-19-13-7-4-10-16(19)22(27)28/h2-13H,1H3,(H,23,24)(H,25,26)(H,27,28)


name: Methoxymethylbis(2-phenylethoxy)silane
cas: 84682-38-2
dtxsid: DTXSID001004980
formula: C18H24O3Si
inchikey: RYDYRQCFQOBUTC-UHFFFAOYSA-N
norman_susdat_id: NS00061152
pubchem_cid: 3020049
smiles: O(C)C[SiH](OCCC=1C=CC=CC1)OCCC=2C=CC=CC2
inchi:
InChI=1/C18H24O3Si/c1-19-16-22(20-14-12-17-8-4-2-5-9-17)21-15-13-18-10-6-3-7-11-18/h2-11,22H,12-16H2,1H3


name: 11beta,21-Dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 11,21-di(acetate)
cas: 84682-40-6
chemspiderid: 21164293
dtxsid: DTXSID00233679
formula: C26H34O6
inchikey: DZJOCIZYNQZSAL-VZKQCUHKSA-N
norman_susdat_id: NS00038612
pubchem_cid: 56841105
smiles: CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(CC2(C)C1C(=O)COC(=O)C)OC(=O)C
inchi:
InChI=1S/C26H34O6/c1-14-10-20-19-7-6-17-11-18(29)8-9-25(17,4)24(19)22(32-16(3)28)12-26(20,5)23(14)21(30)13-31-15(2)27/h8-9,11,14,19-20,22-24H,6-7,10,12-13H2,1-5H3/t14-,19+,20-,22+,23-,24+,25-,26-/m0/s1


name: Digadolinium trimagnesium dodecanitrate
cas: 84682-75-7
formula: Gd.6HNO3.3/2Mg
inchi: InChI=1/2Gd.3Mg.12NO3/c;;;;;12*2-1(3)4/q2*+3;3*+2;12*-1
inchikey: UWFHODJHLSGHJM-UHFFFAOYSA-N
norman_susdat_id: NS00089840
smiles:
[Mg+2].[Mg+2].[Mg+2].[Gd+3].[Gd+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: Barium 4-[(4-ethoxy-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate
cas: 84696-57-1
formula: C19H16N2O7S
inchikey: KVIBEBDEXZAHGW-UHFFFAOYSA-L
norman_susdat_id: NS00059757
pubchem_cid: 136075883
smiles: [Ba+2].O=C([O-])C1=CC=2C=CC=CC2C(N=NC3=CC=C(OCC)C=C3S(=O)(=O)[O-])=C1O
inchi:
InChI=1/C19H16N2O7S.Ba/c1-2-28-12-7-8-15(16(10-12)29(25,26)27)20-21-17-13-6-4-3-5-11(13)9-14(18(17)22)19(23)24;/h3-10,22H,2H2,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2


name: Calcium 4-[(4-ethoxy-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate
cas: 84696-58-2
formula: C19H16N2O7S.xCa
inchikey: RYLQBZRHPUVCHB-UHFFFAOYSA-L
norman_susdat_id: NS00089982
smiles: [Ca+2].[O-]S(=O)(=O)c3cc(OCC)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O
inchi:
InChI=1/C19H16N2O7S.Ca/c1-2-28-12-7-8-15(16(10-12)29(25,26)27)20-21-17-13-6-4-3-5-11(13)9-14(18(17)22)19(23)24;/h3-10,22H,2H2,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2


name: 2-[3,5-di(tert-butyl)phenoxy]benzothiazole
cas: 84696-65-1
dtxsid: DTXSID20233691
formula: C21H25NOS
inchikey: XRHBADLBPMKESE-UHFFFAOYSA-N
norman_susdat_id: NS00059269
pubchem_cid: 3020050
smiles: N1=C(OC=2C=C(C=C(C2)C(C)(C)C)C(C)(C)C)SC=3C=CC=CC13
inchi:
InChI=1/C21H25NOS/c1-20(2,3)14-11-15(21(4,5)6)13-16(12-14)23-19-22-17-9-7-8-10-18(17)24-19/h7-13H,1-6H3


name: Potassium 8-methoxy-6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylate
cas: 84696-68-4
formula: C17H11NO7.K
inchikey: BCXHLVCJJTXBRG-UHFFFAOYSA-M
norman_susdat_id: NS00089983
smiles: [K+].COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C17H11NO7.K/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13;/h2-6H,7H2,1H3,(H,19,20);/q;+1/p-1


name: (Z)-4-(octadec-9-en-1-yl)morpholine
cas: 84696-69-5
formula: C22H43NO
inchikey: OSNVKHBQAYVRFA-KTKRTIGZSA-N
norman_susdat_id: NS00059838
pubchem_cid: 13947581
smiles: O1CCN(CC1)CCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24-22-20-23/h9-10H,2-8,11-22H2,1H3


name: 4-[(Z)-octadec-9-enyl]morpholinium acetate
cas: 84696-70-8
formula: C22H43NO.C2H4O2
inchikey: LYRKMUTVEOLDLG-KVVVOXFISA-N
norman_susdat_id: NS00090019
smiles: CCCCCCCC\C=C/CCCCCCCC[NH+]1CCOCC1.CC(=O)[O-]
inchi:
InChI=1/C22H43NO.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24-22-20-23;1-2(3)4/h9-10H,2-8,11-22H2,1H3;1H3,(H,3,4)


name: 1,2,3-tris(2,2,6,6-tetramethyl-4-piperidyl) 4-tridecyl butane-1,2,3,4-tetracarboxylate
cas: 84696-71-9
dtxsid: DTXSID801004984
formula: C48H87N3O8
inchikey: AOQPXBOBUMGDLG-UHFFFAOYSA-N
norman_susdat_id: NS00060853
pubchem_cid: 6365990
inchi:
InChI=1/C48H87N3O8/c1-14-15-16-17-18-19-20-21-22-23-24-25-56-39(52)26-37(41(54)58-35-30-45(6,7)50-46(8,9)31-35)38(42(55)59-36-32-47(10,11)51-48(12,13)33-36)27-40(53)57-34-28-43(2,3)49-44(4,5)29-34/h34-38,49-51H,14-33H2,1-13H3

smiles:
O=C(OCCCCCCCCCCCCC)CC(C(=O)OC1CC(NC(C)(C)C1)(C)C)C(C(=O)OC2CC(NC(C)(C)C2)(C)C)CC(=O)OC3CC(NC(C)(C)C3)(C)C


name: 1,2,3-tris(1,2,2,6,6-pentamethyl-4-piperidyl) 4-tridecyl butane-1,2,3,4-tetracarboxylate
cas: 84696-72-0
dtxsid: DTXSID501004985
formula: C51H93N3O8
inchikey: CMTLRRXPGSGSFF-UHFFFAOYSA-N
norman_susdat_id: NS00060854
pubchem_cid: 6365991
inchi:
InChI=1/C51H93N3O8/c1-17-18-19-20-21-22-23-24-25-26-27-28-59-42(55)29-40(44(57)61-38-33-48(6,7)53(15)49(8,9)34-38)41(45(58)62-39-35-50(10,11)54(16)51(12,13)36-39)30-43(56)60-37-31-46(2,3)52(14)47(4,5)32-37/h37-41H,17-36H2,1-16H3

smiles:
O=C(OCCCCCCCCCCCCC)CC(C(=O)OC1CC(N(C)C(C)(C)C1)(C)C)C(C(=O)OC2CC(N(C)C(C)(C)C2)(C)C)CC(=O)OC3CC(N(C)C(C)(C)C3)(C)C


name: 1-hexadecyl 2,3,4-tris(1,2,2,6,6-pentamethyl-4-piperidyl) butane-1,2,3,4-tetracarboxylate
cas: 84696-73-1
dtxsid: DTXSID201004986
formula: C54H99N3O8
inchikey: HRYUATHWNRMWNL-UHFFFAOYSA-N
norman_susdat_id: NS00059839
pubchem_cid: 6365992
inchi:
InChI=1/C54H99N3O8/c1-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-62-45(58)32-43(47(60)64-41-36-51(6,7)56(15)52(8,9)37-41)44(48(61)65-42-38-53(10,11)57(16)54(12,13)39-42)33-46(59)63-40-34-49(2,3)55(14)50(4,5)35-40/h40-44H,17-39H2,1-16H3

smiles:
O=C(OCCCCCCCCCCCCCCCC)CC(C(=O)OC1CC(N(C)C(C)(C)C1)(C)C)C(C(=O)OC2CC(N(C)C(C)(C)C2)(C)C)CC(=O)OC3CC(N(C)C(C)(C)C3)(C)C


name: 1-hexadecyl 2,3,4-tris(2,2,6,6-tetramethyl-4-piperidyl) butane-1,2,3,4-tetracarboxylate
cas: 84696-74-2
dtxsid: DTXSID901004987
formula: C51H93N3O8
inchikey: BGHZDANVUUZMQZ-UHFFFAOYSA-N
norman_susdat_id: NS00059880
pubchem_cid: 6365993
inchi:
InChI=1/C51H93N3O8/c1-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-59-42(55)29-40(44(57)61-38-33-48(6,7)53-49(8,9)34-38)41(45(58)62-39-35-50(10,11)54-51(12,13)36-39)30-43(56)60-37-31-46(2,3)52-47(4,5)32-37/h37-41,52-54H,14-36H2,1-13H3

smiles:
O=C(OCCCCCCCCCCCCCCCC)CC(C(=O)OC1CC(NC(C)(C)C1)(C)C)C(C(=O)OC2CC(NC(C)(C)C2)(C)C)CC(=O)OC3CC(NC(C)(C)C3)(C)C


cas: 84696-86-6
chemspiderid: 2287066
dtxsid: DTXSID60233695
formula: C43H45N5O5
inchikey: XYMOENWBCCTIEO-UHFFFAOYSA-N
norman_susdat_id: NS00038617
pubchem_cid: 3020066
smiles: CCCCCCCCCCCCc1ccc(NC(=O)c2cc3c(cc2)C(=O)N(C3=O)c2cc(ccc2)C(=O)NC2=NN(C(=O)C2)c2ccccc2)cc1
name:
2-(3-(((4,5-Dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)amino)carbonyl)phenyl)-N-(4-dodecylphenyl)-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxamide

inchi:
InChI=1S/C43H45N5O5/c1-2-3-4-5-6-7-8-9-10-12-16-30-21-24-33(25-22-30)44-40(50)32-23-26-36-37(28-32)43(53)47(42(36)52)35-20-15-17-31(27-35)41(51)45-38-29-39(49)48(46-38)34-18-13-11-14-19-34/h11,13-15,17-28H,2-10,12,16,29H2,1H3,(H,44,50)(H,45,46,51)


cas: 84696-87-7
formula: C46H61N5O5
inchikey: XEVFABNMFLLLDA-UHFFFAOYSA-N
norman_susdat_id: NS00059316
pubchem_cid: 135570903
smiles: O=C(O)C1=CC=C(C(=C1)NC(=O)C=2C=C(N=NC3=CC=C(C=C3)NCC(=O)C)C=4C=CC=CC4C2O)N(C)CCCCCCCCCCCCCCCCCC
name:
3-[[[4-[[4-(acetylmethylamino)phenyl]azo]-1-hydroxy-2-naphthyl]carbonyl]amino]-4-(methyloctadecylamino)benzoic acid

inchi:
InChI=1/C46H61N5O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-51(3)43-29-24-35(46(55)56)31-42(43)48-45(54)40-32-41(38-22-19-20-23-39(38)44(40)53)50-49-37-27-25-36(26-28-37)47-33-34(2)52/h19-20,22-29,31-32,47,53H,4-18,21,30,33H2,1-3H3,(H,48,54)(H,55,56)


name: 4,5-dihydro-4-(1H-indol-3-ylmethylene)-3-methyl-5-oxo-1H-pyrazole-1-carboxamidine monoacetate
cas: 84696-88-8
formula: C14H13N5O
inchikey: JIXFYFMUVAVXTD-UHFFFAOYSA-N
norman_susdat_id: NS00060941
pubchem_cid: NA
smiles: CC1=NN(C(=O)C1=Cc2c[nH]c3c2cccc3)C(=N)N.CC(=O)O
inchi:
InChI=1/C14H13N5O.C2H4O2/c1-8-11(13(20)19(18-8)14(15)16)6-9-7-17-12-5-3-2-4-10(9)12;1-2(3)4/h2-7,17H,1H3,(H3,15,16);1H3,(H,3,4)


cas: 84696-89-9
formula: C52H56ClN5O5
inchikey: FMSDZGFVUUORTH-UHFFFAOYSA-N
norman_susdat_id: NS00059317
pubchem_cid: NA
name:
4-[[4-(benzoylbutylamino)phenyl]azo]-N-[5-[[[2,4-bis(1,1-dimethylpropyl)phenoxy]acetyl]amino]-2-chlorophenyl]-1-hydroxynaphthalene-2-carboxamide

inchi:
InChI=1/C52H56ClN5O5/c1-8-11-29-58(50(62)34-17-13-12-14-18-34)38-25-22-36(23-26-38)56-57-44-32-41(48(60)40-20-16-15-19-39(40)44)49(61)55-45-31-37(24-27-43(45)53)54-47(59)33-63-46-28-21-35(51(4,5)9-2)30-42(46)52(6,7)10-3/h12-28,30-32,60H,8-11,29,33H2,1-7H3,(H,54,59)(H,55,61)

smiles:
O=C(NC1=CC(=CC=C1Cl)NC(=O)COC2=CC=C(C=C2C(C)(C)CC)C(C)(C)CC)C=3C=C(N=NC4=CC=C(C=C4)N(C(=O)C=5C=CC=CC5)CCCC)C=6C=CC=CC6C3O


name: Diethyl [(5-chloro-4-methyl-2-sulphophenyl)azo]malonate
cas: 84696-90-2
formula: C14H17ClN2O7S
inchikey: JUIHWJWUBFEXDS-UHFFFAOYSA-N
norman_susdat_id: NS00059900
pubchem_cid: 3020069
smiles: O=C(OCC)C(N=NC1=CC(Cl)=C(C=C1S(=O)(=O)O)C)C(=O)OCC
inchi:
InChI=1/C14H17ClN2O7S/c1-4-23-13(18)12(14(19)24-5-2)17-16-10-7-9(15)8(3)6-11(10)25(20,21)22/h6-7,12H,4-5H2,1-3H3,(H,20,21,22)


name: Diethyl hydrogen [[2-sulpho-5-(trifluoromethyl)phenyl]azo]malonate
cas: 84696-91-3
formula: C10H7F3N2O7S
inchikey: HSOWKPKVUYQQJV-UHFFFAOYSA-M
norman_susdat_id: NS00059318
pubchem_cid: NA
smiles: O=C([O-])C(N=NC1=CC(=CC=C1S(=O)(=O)O)C(F)(F)F)C(=O)O.CCCC
inchi:
InChI=1/C10H7F3N2O7S.C4H10/c11-10(12,13)4-1-2-6(23(20,21)22)5(3-4)14-15-7(8(16)17)9(18)19;1-3-4-2/h1-3,7H,(H,16,17)(H,18,19)(H,20,21,22);3-4H2,1-2H3/p-1


cas: 84696-92-4
dtxsid: DTXSID20233696
formula: C22H17N3O15S4
inchikey: DZRQYPVNVSQAIN-UHFFFAOYSA-J
norman_susdat_id: NS00059319
pubchem_cid: 11970853
name:
Tetrapotassium 5-amino-9,10-dihydro-9,10-dioxo-8-[[3-sulphonato-4-[(sulphonatoacetyl)amino]phenyl]amino]anthracene-1,7-disulphonate

inchi:
InChI=1/C22H17N3O15S4.4K/c23-11-7-15(44(38,39)40)20(19-18(11)21(27)10-2-1-3-13(42(32,33)34)17(10)22(19)28)24-9-4-5-12(14(6-9)43(35,36)37)25-16(26)8-41(29,30)31;;;;/h1-7,24H,8,23H2,(H,25,26)(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;/q;4*+1/p-4

smiles:
[K+].[K+].[K+].[K+].O=C1C2=CC=CC(=C2C(=O)C3=C(NC4=CC=C(NC(=O)CS(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-])C(=CC(N)=C13)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: 1,3-diethyl [(4-dodecyl-3-sulphophenyl)azo]malonate
cas: 84696-94-6
formula: C25H40N2O7S
inchikey: DHWGRNIBHDJROJ-UHFFFAOYSA-N
norman_susdat_id: NS00060942
pubchem_cid: 3020070
smiles: O=C(OCC)C(N=NC1=CC=C(C(=C1)S(=O)(=O)O)CCCCCCCCCCCC)C(=O)OCC
inchi:
InChI=1/C25H40N2O7S/c1-4-7-8-9-10-11-12-13-14-15-16-20-17-18-21(19-22(20)35(30,31)32)26-27-23(24(28)33-5-2)25(29)34-6-3/h17-19,23H,4-16H2,1-3H3,(H,30,31,32)


cas: 84696-95-7
formula: C14H12ClN3O3S2
inchikey: OFJGGNFWLYDYSG-UHFFFAOYSA-N
norman_susdat_id: NS00059336
pubchem_cid: 57354307
smiles: O=C(O)CN1C(=O)C(SC1=S)=C2N(C3=CC=C(Cl)C=C3N2C)C
name:
5-(5-chloro-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid

inchi:
InChI=1/C14H12ClN3O3S2/c1-16-8-4-3-7(15)5-9(8)17(2)12(16)11-13(21)18(6-10(19)20)14(22)23-11/h3-5H,6H2,1-2H3,(H,19,20)


cas: 84696-96-8
formula: C21H16F3N3O3S2
inchikey: TXKRNJGBKZJYCQ-UHFFFAOYSA-N
norman_susdat_id: NS00059806
pubchem_cid: NA
smiles: O=C(O)C(C=1C=CC=CC1)N2C(=O)C(SC2=S)=C3N(C4=CC=C(C=C4N3C)C(F)(F)F)C
name:
5-[1,3-dihydro-1,3-dimethyl-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-4-oxo-a-phenyl-2-thioxothiazolidin-3-acetic acid

inchi:
InChI=1/C21H16F3N3O3S2/c1-25-13-9-8-12(21(22,23)24)10-14(13)26(2)17(25)16-18(28)27(20(31)32-16)15(19(29)30)11-6-4-3-5-7-11/h3-10,15H,1-2H3,(H,29,30)


name: Diammonium dihydrogen [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate
cas: 84696-97-9
formula: C4H13NO7P2.2H3N
inchikey: VSBAYBKIVFSFPR-UHFFFAOYSA-L
norman_susdat_id: NS00089748
smiles: [NH4+].[NH4+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C4H13NO7P2.2H3N/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);2*1H3/p-2


name: Dipotassium dihydrogen [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate
cas: 84696-99-1
formula: C4H13NO7P2.2K
inchikey: UTIHOMZIALOUMX-UHFFFAOYSA-J
norman_susdat_id: NS00090513
smiles: [K+].[K+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C4H13NO7P2.2K/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);;/q;2*+1/p-4


name: Tripotassium hydrogen [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate
cas: 84697-00-7
formula: C4H13NO7P2.3K
inchikey: ROUGECCBHRZZBB-UHFFFAOYSA-J
norman_susdat_id: NS00090004
smiles: [K+].[K+].[K+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C4H13NO7P2.3K/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);;;/q;3*+1/p-4


name: Tetrapotassium [[(2-hydroxyethyl)imino]bis(methylene)]bisphosphonate
cas: 84697-01-8
formula: C4H13NO7P2.4K
inchikey: GVYQKBLTSYFXGI-UHFFFAOYSA-J
norman_susdat_id: NS00090005
smiles: [K+].[K+].[K+].[K+].OCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C4H13NO7P2.4K/c6-2-1-5(3-13(7,8)9)4-14(10,11)12;;;;/h6H,1-4H2,(H2,7,8,9)(H2,10,11,12);;;;/q;4*+1/p-4


name: (p-chlorobenzyl)dimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride
cas: 84697-04-1
dtxsid: DTXSID701004993
formula: C30H54ClN2O
inchikey: QXOXRMVPVOLDFY-UHFFFAOYSA-N
norman_susdat_id: NS00059901
pubchem_cid: 3020074
smiles: [Cl-].O=C(NCCC[N+](C)(C)CC1=CC=C(Cl)C=C1)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C30H53ClN2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30(34)32-25-19-26-33(2,3)27-28-21-23-29(31)24-22-28;/h21-24H,4-20,25-27H2,1-3H3;1H


name: (p-chlorobenzyl)dimethyl[3-[(1-oxododecyl)amino]propyl]ammonium chloride
cas: 84697-05-2
dtxsid: DTXSID401004994
formula: C24H42ClN2O
inchikey: VOOJAJLCDLZCHH-UHFFFAOYSA-N
norman_susdat_id: NS00059337
pubchem_cid: 3020076
smiles: [Cl-].O=C(NCCC[N+](C)(C)CC1=CC=C(Cl)C=C1)CCCCCCCCCCC
inchi:
InChI=1/C24H41ClN2O.ClH/c1-4-5-6-7-8-9-10-11-12-14-24(28)26-19-13-20-27(2,3)21-22-15-17-23(25)18-16-22;/h15-18H,4-14,19-21H2,1-3H3;1H


name: (2,4-dichlorobenzyl)dimethyl[3-[(1-oxododecyl)amino]propyl]ammonium chloride
cas: 84697-06-3
dtxsid: DTXSID101004995
formula: C24H41Cl2N2O
inchikey: ZUZMMLFLCTWMHS-UHFFFAOYSA-N
norman_susdat_id: NS00059338
pubchem_cid: 3020078
smiles: [Cl-].O=C(NCCC[N+](C)(C)CC1=CC=C(Cl)C=C1Cl)CCCCCCCCCCC
inchi:
InChI=1/C24H40Cl2N2O.ClH/c1-4-5-6-7-8-9-10-11-12-14-24(29)27-17-13-18-28(2,3)20-21-15-16-22(25)19-23(21)26;/h15-16,19H,4-14,17-18,20H2,1-3H3;1H


name: (2,4-dichlorobenzyl)dimethyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride
cas: 84697-07-4
dtxsid: DTXSID801004996
formula: C30H53Cl2N2O
inchikey: WVCSJELIICFXBX-UHFFFAOYSA-N
norman_susdat_id: NS00060943
pubchem_cid: 3020080
smiles: [Cl-].O=C(NCCC[N+](C)(C)CC1=CC=C(Cl)C=C1Cl)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C30H52Cl2N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30(35)33-23-19-24-34(2,3)26-27-21-22-28(31)25-29(27)32;/h21-22,25H,4-20,23-24,26H2,1-3H3;1H


name: Dibenzyl L-cystinate dihydrochloride
cas: 84697-17-6
formula: C20H24N2O4S2
inchikey: YMPPLNVDCNRQHD-MPGISEFESA-N
norman_susdat_id: NS00059389
pubchem_cid: 91977200
smiles: Cl.Cl.O=C(OCC=1C=CC=CC1)C(N)CSSCC(N)C(=O)OCC=2C=CC=CC2
inchi:
InChI=1/C20H24N2O4S2.2ClH/c21-17(19(23)25-11-15-7-3-1-4-8-15)13-27-28-14-18(22)20(24)26-12-16-9-5-2-6-10-16;;/h1-10,17-18H,11-14,21-22H2;2*1H


name: N-(N-(N2,N6-Bis((benzyloxy)carbonyl)-L-lysyl)glycyl)glycine
cas: 84697-19-8
chemspiderid: 21164323
dtxsid: DTXSID10233706
formula: C26H32N4O8
inchikey: FIHSHUVRQWJTPB-NRFANRHFSA-N
norman_susdat_id: NS00038623
pubchem_cid: 44154308
smiles: OC(=O)CNC(=O)CNC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1
inchi:
InChI=1S/C26H32N4O8/c31-22(28-16-23(32)33)15-29-24(34)21(30-26(36)38-18-20-11-5-2-6-12-20)13-7-8-14-27-25(35)37-17-19-9-3-1-4-10-19/h1-6,9-12,21H,7-8,13-18H2,(H,27,35)(H,28,31)(H,29,34)(H,30,36)(H,32,33)/t21-/m1/s1


name: Butanamide, N-(4-amino-2-hydroxyphenyl)-2,2,3,3,4,4,4-heptafluoro-
cas: 847-51-8
chemspiderid: 63249
dtxsid: DTXSID3061211
formula: C10H7F7N2O2
inchikey: STPOJASQXPXVMS-UHFFFAOYSA-N
norman_susdat_id: NS00009203
pubchem_cid: 70060
smiles: Nc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(O)c1
inchi:
InChI=1S/C10H7F7N2O2/c11-8(12,9(13,14)10(15,16)17)7(21)19-5-2-1-4(18)3-6(5)20/h1-3,20H,18H2,(H,19,21)


name: Dimethyl(4-oxo-3,3-diphenylhexyl)ammonium chloride
cas: 847-84-7
formula: C20H25NO.ClH
inchikey: GYWUCVKLUKFJLC-UHFFFAOYSA-N
norman_susdat_id: NS00080085
smiles: [Cl-].CCC(=O)C(CC[NH+](C)C)(c1ccccc1)c2ccccc2
inchi:
InChI=1/C20H25NO.ClH/c1-4-19(22)20(15-16-21(2)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14H,4,15-16H2,1-3H3;1H


name: 4-hydroxy-3-methoxy-17-methylmorphinan-6-one
cas: 847-86-9
dtxsid: DTXSID901005004
formula: C18H23NO3
inchikey: CDGFTOARGCEWKI-IYOUNJFTSA-N
norman_susdat_id: NS00042476
pubchem_cid: 5355412
smiles: O=C1CCC2C3N(C)CCC2(C4=C(O)C(OC)=CC=C4C3)C1
inchi:
InChI=1/C18H23NO3/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/h3,6,13-14,21H,4-5,7-10H2,1-2H3


name: Ethyl (R)-2,3-dihydro-3-(1-phenylethyl)-2-thioxo-1H-imidazole-4-carboxylate
cas: 84711-26-2
dtxsid: DTXSID701005010
formula: C14H16N2O2S
inchikey: URUAOABMVSHWSB-SNVBAGLBSA-N
norman_susdat_id: NS00059857
pubchem_cid: 1201654
smiles: O=C(OCC)C1=CNC(=S)N1C(C=2C=CC=CC2)C
inchi:
InChI=1/C14H16N2O2S/c1-3-18-13(17)12-9-15-14(19)16(12)10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,15,19)


cas: 84712-65-2
formula: C21H18ClN3O3S2
inchikey: CWYZKJWRWUSWHT-UHFFFAOYSA-N
norman_susdat_id: NS00059404
pubchem_cid: 57354308
smiles: O=C(O)C(N1C(=S)SC(C1=O)=C2N(C3=CC=C(Cl)C=C3N2C)C)CC=4C=CC=CC4
name:
a-benzyl-5-(5-chloro-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid

inchi:
InChI=1/C21H18ClN3O3S2/c1-23-14-9-8-13(22)11-15(14)24(2)18(23)17-19(26)25(21(29)30-17)16(20(27)28)10-12-6-4-3-5-7-12/h3-9,11,16H,10H2,1-2H3,(H,27,28)


name: 2-[1,1-dimethyl-3-[(tributylstannyl)oxy]butoxy]-4,4,6-trimethyl-1,3,2-dioxaborinane
cas: 84712-69-6
formula: C24H51BO4Sn
inchikey: RWASAPDGVFSDLS-UHFFFAOYSA-N
norman_susdat_id: NS00059973
pubchem_cid: 16684524
smiles: O1B(OC(C)(C)CC1C)OC(C)(C)CC(O[Sn](CCCC)(CCCC)CCCC)C
inchi:
InChI=1/C12H24BO4.3C4H9.Sn/c1-9(14)7-11(3,4)16-13-15-10(2)8-12(5,6)17-13;3*1-3-4-2;/h9-10H,7-8H2,1-6H3;3*1,3-4H2,2H3;/q-1;;;;+1/rC24H51BO4Sn/c1-10-13-16-30(17-14-11-2,18-15-12-3)27-22(5)20-24(8,9)29-25-26-21(4)19-23(6,7)28-25/h21-22H,10-20H2,1-9H3


cas: 84712-70-9
formula: C27H40O12Sn
inchikey: PHXQJWFRWVXDMN-WYLUVXEQSA-K
norman_susdat_id: NS00060996
pubchem_cid: 53436857
smiles: O=C(OC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OC)(OC(=O)C=CC(=O)OC)CCCCCCCCCCCC
name:
Methyl (Z,Z,Z)-8-dodecyl-8-[(4-methoxy-1,4-dioxobut-2-enyl)oxy]-3,6,10-trioxo-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate

inchi:
InChI=1/C12H25.3C5H6O4.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;3*1-9-5(8)3-2-4(6)7;/h1,3-12H2,2H3;3*2-3H,1H3,(H,6,7);/q;;;;+3/p-3/rC27H40O12Sn/c1-5-6-7-8-9-10-11-12-13-14-21-40(37-25(31)18-15-22(28)34-2,38-26(32)19-16-23(29)35-3)39-27(33)20-17-24(30)36-4/h15-20H,5-14,21H2,1-4H3


name: Sodium 4-[(ethylanilino)methyl]benzenesulphonate
cas: 84712-71-0
dtxsid: DTXSID60233716
formula: C15H17NO3S
inchikey: OBVBDEUGROWXGF-UHFFFAOYSA-M
norman_susdat_id: NS00060997
pubchem_cid: 21114741
smiles: [Na+].O=S(=O)([O-])C1=CC=C(C=C1)CNC=2C=CC=CC2CC
inchi:
InChI=1/C15H17NO3S.Na/c1-2-13-5-3-4-6-15(13)16-11-12-7-9-14(10-8-12)20(17,18)19;/h3-10,16H,2,11H2,1H3,(H,17,18,19);/q;+1/p-1


name: 6-Azido-N-cyclopentyl-N'-ethyl-1,3,5-triazine-2,4-diamine
cas: 84712-74-3
chemspiderid: 10144241
dtxsid: DTXSID80233718
formula: C10H16N8
inchikey: ANSCQLLLQHFOLN-UHFFFAOYSA-N
norman_susdat_id: NS00038625
pubchem_cid: 11970860
smiles: CCNc1nc(NC2CCCC2)nc(N=[N+]=[N-])n1
inchi:
InChI=1S/C10H16N8/c1-2-12-8-14-9(13-7-5-3-4-6-7)16-10(15-8)17-18-11/h7H,2-6H2,1H3,(H2,12,13,14,15,16)


name: 6-Chloro-N-cyclopentyl-N'-isopropyl-1,3,5-triazine-2,4-diamine
cas: 84712-76-5
chemspiderid: 10144243
dtxsid: DTXSID50233720
formula: C11H18Cl1N5
inchikey: XWFNWQAZWHPBNA-UHFFFAOYSA-N
norman_susdat_id: NS00038627
pubchem_cid: 11970862
smiles: CC(C)Nc1nc(NC2CCCC2)nc(Cl)n1
inchi:
InChI=1S/C11H18ClN5/c1-7(2)13-10-15-9(12)16-11(17-10)14-8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16,17)


name: 6-Chloro-N-cyclohexyl-N'-ethyl-1,3,5-triazine-2,4-diamine
cas: 84712-77-6
chemspiderid: 139394
dtxsid: DTXSID10233721
formula: C11H18Cl1N5
inchikey: LSBYYJMCRRFQRA-UHFFFAOYSA-N
norman_susdat_id: NS00038628
pubchem_cid: 158453
smiles: CCNc1nc(Cl)nc(NC2CCCCC2)n1
inchi:
InChI=1S/C11H18ClN5/c1-2-13-10-15-9(12)16-11(17-10)14-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H2,13,14,15,16,17)


name: N-Cyclopentyl-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
cas: 84712-78-7
chemspiderid: 10144244
dtxsid: DTXSID70233722
formula: C11H19N5S1
inchikey: QWEXZURQZXDZBL-UHFFFAOYSA-N
norman_susdat_id: NS00038629
pubchem_cid: 11970863
smiles: CCNc1nc(NC2CCCC2)nc(SC)n1
inchi:
InChI=1S/C11H19N5S/c1-3-12-9-14-10(16-11(15-9)17-2)13-8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H2,12,13,14,15,16)


name: N-(4-Chloro-6-(cyclopentylamino)-1,3,5-triazin-2-yl)-N-ethylacetamide
cas: 84712-79-8
chemspiderid: 10144245
dtxsid: DTXSID30233723
formula: C12H18Cl1N5O1
inchikey: SJONDWFGXJKKJU-UHFFFAOYSA-N
norman_susdat_id: NS00038630
pubchem_cid: 11970864
smiles: CCN(C(=O)C)c1nc(NC2CCCC2)nc(Cl)n1
inchi:
InChI=1S/C12H18ClN5O/c1-3-18(8(2)19)12-16-10(13)15-11(17-12)14-9-6-4-5-7-9/h9H,3-7H2,1-2H3,(H,14,15,16,17)


name: 6-chloro-N-cyclohexyl-N'-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
cas: 84712-80-1
dtxsid: DTXSID201005015
formula: C13H22ClN5O
inchikey: RHRPNOHMMGIBHD-UHFFFAOYSA-N
norman_susdat_id: NS00059548
pubchem_cid: 11970865
smiles: ClC=1N=C(N=C(N1)NC2CCCCC2)NCCCOC
inchi:
InChI=1/C13H22ClN5O/c1-20-9-5-8-15-12-17-11(14)18-13(19-12)16-10-6-3-2-4-7-10/h10H,2-9H2,1H3,(H2,15,16,17,18,19)


name: 3-[3-[[[(diisopropylamino)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-1,1-diisopropylurea
cas: 84712-81-2
dtxsid: DTXSID901005016
formula: C24H48N4O2
inchikey: AGUUNYAJSFOUSL-UHFFFAOYSA-N
norman_susdat_id: NS00059549
pubchem_cid: 3020089
smiles: O=C(NCC1(C)CC(NC(=O)N(C(C)C)C(C)C)CC(C)(C)C1)N(C(C)C)C(C)C
inchi:
InChI=1/C24H48N4O2/c1-16(2)27(17(3)4)21(29)25-15-24(11)13-20(12-23(9,10)14-24)26-22(30)28(18(5)6)19(7)8/h16-20H,12-15H2,1-11H3,(H,25,29)(H,26,30)


cas: 84712-84-5
formula: C8H10N6.C7H8N4O2
inchikey: STUUJICSXAHEFA-UHFFFAOYSA-N
norman_susdat_id: NS00089864
smiles: CN2c1ncnc1C(=O)N(C)C2=O.NN=C1NNC(=NN)c2ccccc12
name:
2,3-dihydrophthalazine-1,4-dione dihydrazone, compound with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)

inchi:
InChI=1/C8H10N6.C7H8N4O2/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h1-4H,9-10H2,(H,11,13)(H,12,14);3H,1-2H3,(H,8,9)


name: Sodium 2-methoxyethyl [(4-methylphenyl)sulphonyl]carbamate
cas: 84712-85-6
dtxsid: DTXSID301005018
formula: C11H15NO5S
inchikey: XKLAGZBXKUOGHZ-UHFFFAOYSA-N
norman_susdat_id: NS00059540
pubchem_cid: 3020092
smiles: [Na+].O=C(OCCOC)NS(=O)(=O)C1=CC=C(C=C1)C
inchi:
InChI=1/C11H15NO5S.Na/c1-9-3-5-10(6-4-9)18(14,15)12-11(13)17-8-7-16-2;/h3-6H,7-8H2,1-2H3,(H,12,13);/q;+1


name: 2-(acetamido)-4-[(2-hydroxyethyl)sulphonyl]benzoic acid
cas: 84712-88-9
dtxsid: DTXSID10233726
formula: C11H13NO6S
inchikey: YGPJTGQFHGCTNC-UHFFFAOYSA-N
norman_susdat_id: NS00060580
pubchem_cid: 3020093
smiles: O=C(O)C1=CC=C(C=C1NC(=O)C)S(=O)(=O)CCO
inchi:
InChI=1/C11H13NO6S/c1-7(14)12-10-6-8(19(17,18)5-4-13)2-3-9(10)11(15)16/h2-3,6,13H,4-5H2,1H3,(H,12,14)(H,15,16)


cas: 84712-92-5
formula: C29H39NO5
inchikey: LLPIYCRHLHHJKV-BLZSMSMGSA-N
norman_susdat_id: NS00060632
pubchem_cid: NA
smiles: O=C(N1CCC23C4=C5OC3C6(OC)CCC2(CC6C(O)(C)C(C)(C)C)C1CC4=CC=C5O)C7CC7
name:
(5a,7a)-a-tert-butyl-17-(cyclopropylcarbonyl)-4,5-epoxy-18,19-dihydro-3-hydroxy-6-methoxy-a-methyl-6,14-ethenomorphinan-7-methanol

inchi:
InChI=1/C29H39NO5/c1-25(2,3)26(4,33)19-15-27-10-11-29(19,34-5)24-28(27)12-13-30(23(32)16-6-7-16)20(27)14-17-8-9-18(31)22(35-24)21(17)28/h8-9,16,19-20,24,31,33H,6-7,10-15H2,1-5H3


cas: 84712-93-6
formula: C15H28N2O8S.C12H23N
inchikey: UPJYVFMEJLHIKR-MERQFXBCSA-N
norman_susdat_id: NS00090383
smiles: CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCCS(=O)(=O)C)C(=O)O.C1CCC(CC1)NC2CCCCC2
name:
N2-(tert-butoxycarbonyl)-N6-[(2-mesylethoxy)carbonyl]-L-lysine, compound with dicyclohexylamine (1:1)

inchi:
InChI=1/C15H28N2O8S.C12H23N/c1-15(2,3)25-14(21)17-11(12(18)19)7-5-6-8-16-13(20)24-9-10-26(4,22)23;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11H,5-10H2,1-4H3,(H,16,20)(H,17,21)(H,18,19);11-13H,1-10H2


cas: 84712-94-7
formula: C33H39N5O10S2
inchikey: GQZHICGELIJFBG-KYJUHHDHSA-N
norman_susdat_id: NS00060633
pubchem_cid: 44152966
smiles: O=C(OCC1=CC=C(OC)C=C1)NC(C(=O)NC(C(=O)OCCS(=O)(=O)CC2=CC=C(N=NC=3C=CC=CC3)C=C2)CSCNC(=O)C)CO
name:
2-[[4-(phenylazo)benzyl]sulphonyl]ethyl S-(acetamidomethyl)-N-[N-[(4-methoxybenzyloxy)carbonyl]-L-seryl]-L-cysteinate

inchi:
InChI=1/C33H39N5O10S2/c1-23(40)34-22-49-20-30(35-31(41)29(18-39)36-33(43)48-19-24-10-14-28(46-2)15-11-24)32(42)47-16-17-50(44,45)21-25-8-12-27(13-9-25)38-37-26-6-4-3-5-7-26/h3-15,29-30,39H,16-22H2,1-2H3,(H,34,40)(H,35,41)(H,36,43)


name: S-(Acetamidomethyl)-N-((vinyloxy)carbonyl)-L-cysteine
cas: 84712-98-1
chemspiderid: 21164338
dtxsid: DTXSID30233728
formula: C9H14N2O5S1
inchikey: WVPVRAHPOHEJQZ-ZETCQYMHSA-N
norman_susdat_id: NS00038632
pubchem_cid: 44147925
smiles: CC(=O)NCSCC(NC(=O)OC=C)C(=O)O
inchi:
InChI=1S/C9H14N2O5S/c1-3-16-9(15)11-7(8(13)14)4-17-5-10-6(2)12/h3,7H,1,4-5H2,2H3,(H,10,12)(H,11,15)(H,13,14)/t7-/m1/s1


name: S-(acetamidomethyl)-N-[(vinyloxy)carbonyl]-L-cysteine, compound with dicyclohexylamine (1:1)
cas: 84712-99-2
formula: C12H23N.C9H14N2O5S
inchikey: QMJNNSHOBSDANS-ZLTKDMPESA-N
norman_susdat_id: NS00090384
smiles: CC(=O)NCSC[C@H](NC(=O)OC=C)C(=O)O.C1CCC(CC1)NC2CCCCC2
inchi:
InChI=1/C12H23N.C9H14N2O5S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-16-9(15)11-7(8(13)14)4-17-5-10-6(2)12/h11-13H,1-10H2;3,7H,1,4-5H2,2H3,(H,10,12)(H,11,15)(H,13,14)


name: 2,2'-[(methoxymethylsilylene)bis(oxy)]bisbenzoic acid
cas: 84713-00-8
dtxsid: DTXSID301005020
formula: C16H16O7Si
inchikey: WCSYQEGNUGIIGL-UHFFFAOYSA-N
norman_susdat_id: NS00060634
pubchem_cid: NA
smiles: O=C(O)C=1C=CC=CC1O[SiH](OC=2C=CC=CC2C(=O)O)COC
inchi:
InChI=1/C16H16O7Si/c1-21-10-24(22-13-8-4-2-6-11(13)15(17)18)23-14-9-5-3-7-12(14)16(19)20/h2-9,24H,10H2,1H3,(H,17,18)(H,19,20)


name: [[(3,5,5-trimethylhexyl)imino]bis(methylene)]diphosphonic acid
cas: 84713-01-9
dtxsid: DTXSID001005021
formula: C11H27NO6P2
inchikey: MVVXUEVCZPXMKR-UHFFFAOYSA-N
norman_susdat_id: NS00059614
pubchem_cid: 44147136
smiles: O=P(O)(O)CN(CCC(C)CC(C)(C)C)CP(=O)(O)O
inchi:
InChI=1/C11H27NO6P2/c1-10(7-11(2,3)4)5-6-12(8-19(13,14)15)9-20(16,17)18/h10H,5-9H2,1-4H3,(H2,13,14,15)(H2,16,17,18)


name: Ammonium copper(2+) 2-hydroxypropane-1,2,3-tricarboxylate
cas: 84713-02-0
formula: C6H8O7.xCu.xH3N
inchikey: ZDZVEOUGLQZYGS-UHFFFAOYSA-L
norman_susdat_id: NS00089887
smiles: [NH4+].[Cu+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.Cu.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+2;/p-2


name: Disodium naphthalenedisulphonate
cas: 84713-09-7
formula: C10H8O6S2.2Na
inchikey: PTEWEFISOFMTTD-UHFFFAOYSA-L
norman_susdat_id: NS00089904
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1ccc2ccccc2c1S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O6S2.2Na/c11-17(12,13)9-6-5-7-3-1-2-4-8(7)10(9)18(14,15)16;;/h1-6H,(H,11,12,13)(H,14,15,16);;/q;2*+1/p-2


name: N-[(vinyloxy)carbonyl]-L-tryptophan, compound with dicyclohexylamine (1:1)
cas: 84731-54-4
formula: C14H14N2O4.C12H23N
inchikey: OPJXEKOXJMILNL-YDALLXLXSA-N
norman_susdat_id: NS00090385
smiles: OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC=C.C3CCC(CC3)NC4CCCCC4
inchi:
InChI=1/C14H14N2O4.C12H23N/c1-2-20-14(19)16-12(13(17)18)7-9-8-15-11-6-4-3-5-10(9)11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-6,8,12,15H,1,7H2,(H,16,19)(H,17,18);11-13H,1-10H2


name: Dipotassium (S)-5-[(4-amino-4-carboxylato-1-oxobutyl)amino]-2-nitrobenzoate
cas: 84731-57-7
formula: C12H13N3O7.2K
inchikey: OZHPLAGWFIQLMJ-JZGIKJSDSA-L
norman_susdat_id: NS00090386
smiles: [K+].[K+].N[C@@H](CCC(=O)Nc1ccc(c(c1)C(=O)[O-])[N+](=O)[O-])C(=O)[O-]
inchi:
InChI=1/C12H13N3O7.2K/c13-8(12(19)20)2-4-10(16)14-6-1-3-9(15(21)22)7(5-6)11(17)18;;/h1,3,5,8H,2,4,13H2,(H,14,16)(H,17,18)(H,19,20);;/q;2*+1/p-2


cas: 84731-60-2
formula: C26H48N2O6
inchikey: GZLDPEATSMPYLM-UHFFFAOYSA-N
norman_susdat_id: NS00059114
pubchem_cid: 92030367
smiles: O1CCOCCN2CCOC3CCCCC3OCCN(CC1)CCOC4CCCCC4OCC2
name:
Icosahydro-8,19-(ethanoxyethanoxyethano)-8H,19H-dibenzo[b,k][1,4,10,13,7,16]tetraoxadiazacyclooctadecine

inchi:
InChI=1/C26H48N2O6/c1-2-6-24-23(5-1)31-17-11-27-9-15-29-21-22-30-16-10-28(12-18-32-24)14-20-34-26-8-4-3-7-25(26)33-19-13-27/h23-26H,1-22H2


name: Methyl tetrapropylenebenzenesulphonate
cas: 84731-62-4
chemspiderid: 2300772
dtxsid: DTXSID90233749
formula: C19H32O3S1
inchikey: UHTWOEBPFGWBTK-UHFFFAOYSA-N
norman_susdat_id: NS00038637
pubchem_cid: 3036845
smiles: CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)OC
inchi:
InChI=1S/C19H32O3S/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19(17-15-18)23(20,21)22-2/h14-17H,3-13H2,1-2H3


name: Dodecanedioic acid, diisotridecyl ester
cas: 84731-63-5
chemspiderid: 77947
dtxsid: DTXSID2074112
formula: C38H74O4
inchikey: XLXMYOUBZINZAX-UHFFFAOYSA-N
norman_susdat_id: NS00020545
pubchem_cid: 86432
smiles: CC(C)CCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCCCCC(C)C
inchi:
InChI=1S/C38H74O4/c1-35(2)29-23-17-11-7-9-15-21-27-33-41-37(39)31-25-19-13-5-6-14-20-26-32-38(40)42-34-28-22-16-10-8-12-18-24-30-36(3)4/h35-36H,5-34H2,1-4H3


name: Bis(3-cyclohexylpropyl) adipate
cas: 84731-68-0
chemspiderid: 2287094
dtxsid: DTXSID00233750
formula: C24H42O4
inchikey: LVUGJOSLIZEIRL-UHFFFAOYSA-N
norman_susdat_id: NS00038638
pubchem_cid: 3020104
smiles: O=C(CCCCC(=O)OCCCC1CCCCC1)OCCCC1CCCCC1
inchi:
InChI=1S/C24H42O4/c25-23(27-19-9-15-21-11-3-1-4-12-21)17-7-8-18-24(26)28-20-10-16-22-13-5-2-6-14-22/h21-22H,1-20H2


name: bis(2-ethylhexyl) cyclohexane-1,4-dicarboxylate
cas: 84731-70-4
chemspiderid: 2287096
formula: C24H44O4
inchikey: HOQGHOMLEVKTBY-UHFFFAOYSA-N
norman_susdat_id: NS00005922
pubchem_cid: 3020106
smiles: CCCCC(CC)COC(=O)C1CCC(CC1)C(=O)OCC(CC)CCCC
inchi:
InChI=1S/C24H44O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h19-22H,5-18H2,1-4H3


name: Diammonium 3-nitronaphthalene-1,5-disulphonate
cas: 84732-26-3
formula: C10H7NO8S2.2H3N
inchikey: ZLQKSFYNLRAKLR-UHFFFAOYSA-N
norman_susdat_id: NS00090421
smiles: [NH4+].[NH4+].[O-][N+](=O)c1cc(c2cccc(c2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H7NO8S2.2H3N/c12-11(13)6-4-8-7(10(5-6)21(17,18)19)2-1-3-9(8)20(14,15)16;;/h1-5H,(H,14,15,16)(H,17,18,19);2*1H3


name: Lithium p-[[p-[[p-(diethylamino)phenyl]azo]phenyl]azo]benzenesulphonate
cas: 84732-32-1
dtxsid: DTXSID00888648
formula: C22H23N5O3S
inchikey: XHJGMLSNEAAFDN-UHFFFAOYSA-M
norman_susdat_id: NS00059164
pubchem_cid: 174381
smiles: [Li+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC3=CC=C(C=C3)N(CC)CC)C=C2)C=C1
inchi:
InChI=1/C22H23N5O3S.Li/c1-3-27(4-2)21-13-9-19(10-14-21)25-23-17-5-7-18(8-6-17)24-26-20-11-15-22(16-12-20)31(28,29)30;/h5-16H,3-4H2,1-2H3,(H,28,29,30);/q;+1/p-1


name: Arbaclofen placarbil
cas: 847353-30-4
dtxsid: DTXSID40233754
formula: C19H26ClNO6
inchikey: JXTAALBWJQJLGN-KSSFIOAISA-N
norman_susdat_id: NS00071057
pubchem_cid: 11281011
smiles: CC(C)C(=O)O[C@@H](OC(=O)NC[C@H](CC(=O)O)c1ccc(Cl)cc1)C(C)C
inchi:
InChI=1S/C19H26ClNO6/c1-11(2)17(24)26-18(12(3)4)27-19(25)21-10-14(9-16(22)23)13-5-7-15(20)8-6-13/h5-8,11-12,14,18H,9-10H2,1-4H3,(H,21,25)(H,22,23)/t14-,18-/m0/s1


cas: 84744-28-5
formula: C23H26O11
inchikey: UHIGZYLCYRQESL-VJWFJHQPSA-N
norman_susdat_id: NS00097240
smiles: C1=CC(=C(C=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O)O
name:
[(2R,3S,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

inchi:
InChI=1S/C23H26O11/c24-11-18-22(34-19(29)6-3-12-1-4-14(25)16(27)9-12)20(30)21(31)23(33-18)32-8-7-13-2-5-15(26)17(28)10-13/h1-6,9-10,18,20-28,30-31H,7-8,11H2/b6-3+/t18-,20-,21-,22-,23-/m1/s1


name: BNX 1077
cas: 847488-62-4
chemspiderid: 57583168
formula: C30H52O3
inchikey: POHDYPLISNZLAR-UHFFFAOYSA-N
norman_susdat_id: NS00015584
pubchem_cid: 18762378
smiles: CCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
inchi:
InChI=1S/C30H52O3/c1-8-9-10-11-12-13-14-15-16-17-18-21-33-27(31)20-19-24-22-25(29(2,3)4)28(32)26(23-24)30(5,6)7/h22-23,32H,8-21H2,1-7H3


name: Delanzomib
cas: 847499-27-8
chebiid: CHEBI:141530
formula: C21H28BN3O5
inchikey: SJFBTAPEPRWNKH-CCKFTAQKSA-N
norman_susdat_id: NS00073518
pubchem_cid: 24800541
smiles: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O
inchi:
InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1


name: 4,5-dihydro-5-oxo-1-phenyl-4-[[4-(phenylazo)phenyl]azo]-1H-pyrazole-3-carboxamide
cas: 84753-01-5
formula: C22H17N7O2
inchikey: JPOGZXYYWANLQL-UHFFFAOYSA-N
norman_susdat_id: NS00060710
pubchem_cid: 3020110
smiles: O=C(N)C1=NN(C(=O)C1N=NC2=CC=C(N=NC=3C=CC=CC3)C=C2)C=4C=CC=CC4
inchi:
InChI=1/C22H17N7O2/c23-21(30)19-20(22(31)29(28-19)18-9-5-2-6-10-18)27-26-17-13-11-16(12-14-17)25-24-15-7-3-1-4-8-15/h1-14,20H,(H2,23,30)


name: 1,1'-[iminobis(propane-3,1-diylimino)]ditetradecan-2-ol
cas: 84753-02-6
dtxsid: DTXSID901005054
formula: C34H73N3O2
inchikey: FHXNVHGVQIYANJ-UHFFFAOYSA-N
norman_susdat_id: NS00059662
pubchem_cid: 53435781
smiles: OC(CNCCCNCCCNCC(O)CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/C34H73N3O2/c1-3-5-7-9-11-13-15-17-19-21-25-33(38)31-36-29-23-27-35-28-24-30-37-32-34(39)26-22-20-18-16-14-12-10-8-6-4-2/h33-39H,3-32H2,1-2H3


name: HYDROXYCETYL PHOS- PHATE
cas: 84753-03-7
chemspiderid: 14758741
formula: C16H35O5P1
inchikey: RUWOTBASWCAIML-UHFFFAOYSA-N
norman_susdat_id: NS00013755
pubchem_cid: 16205521
smiles: CCCCCCCCCCCCCCC(O)CO[P](O)(O)=O
inchi:
InChI=1S/C16H35O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-21-22(18,19)20/h16-17H,2-15H2,1H3,(H2,18,19,20)


name: Dodecyl(2-hydroxyethyl)dimethylammonium methanesulphonate
cas: 84753-05-9
formula: C16H36NO.CH3O3S
inchikey: SDFOQNAIXDXKKN-UHFFFAOYSA-M
norman_susdat_id: NS00089939
smiles: CCCCCCCCCCCC[N+](C)(C)CCO.CS(=O)(=O)[O-]
inchi:
InChI=1/C16H36NO.CH4O3S/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16-18;1-5(2,3)4/h18H,4-16H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: Tetrasodium 4,4'-bis[(1-hydroxy-4-sulphonato-2-naphthyl)azo][1,1'-biphenyl]-2,2'-disulphonate
cas: 84753-06-0
formula: C32H22N4O14S4
inchikey: USDZYAJCEHBAOX-UHFFFAOYSA-J
norman_susdat_id: NS00059663
pubchem_cid: 136075790
inchi:
InChI=1/C32H22N4O14S4.4Na/c37-31-23-7-3-1-5-19(23)29(53(45,46)47)15-25(31)35-33-17-9-11-21(27(13-17)51(39,40)41)22-12-10-18(14-28(22)52(42,43)44)34-36-26-16-30(54(48,49)50)20-6-2-4-8-24(20)32(26)38;;;;/h1-16,37-38H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(N=NC=2C=C(C=3C=CC=CC3C2O)S(=O)(=O)[O-])C=CC1C4=CC=C(N=NC=5C=C(C=6C=CC=CC6C5O)S(=O)(=O)[O-])C=C4S(=O)(=O)[O-]


name: 3-(hexadec-2-enyl)-1-octadecylpyrrolidine-2,5-dione
cas: 84753-09-3
formula: C38H71NO2
inchikey: PQNJPWTVYGXVTK-UHFFFAOYSA-N
norman_susdat_id: NS00060711
pubchem_cid: 3020114
smiles: O=C1N(C(=O)C(CC=CCCCCCCCCCCCCC)C1)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C38H71NO2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-39-37(40)35-36(38(39)41)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h29,31,36H,3-28,30,32-35H2,1-2H3


name: Calcium(2+) 3-[(octadecylamino)carbonyl]nonadec-5-enoate
cas: 84753-10-6
formula: C38H73NO3
inchikey: NCOHZYLCJDBBNT-UHFFFAOYSA-L
norman_susdat_id: NS00059626
pubchem_cid: 57354316
inchi:
InChI=1/2C38H73NO3.Ca/c2*1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-39-38(42)36(35-37(40)41)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2;/h2*29,31,36H,3-28,30,32-35H2,1-2H3,(H,39,42)(H,40,41);/q;;+2/p-2

smiles:
[Ca+2].O=C([O-])CC(C(=O)NCCCCCCCCCCCCCCCCCC)CC=CCCCCCCCCCCCCC.O=C([O-])CC(C(=O)NCCCCCCCCCCCCCCCCCC)CC=CCCCCCCCCCCCCC


name: Nvp-bep800
cas: 847559-80-2
dtxsid: DTXSID60649095
formula: C21H23Cl2N5O2S
inchikey: WJUNQSYQHHIVFX-UHFFFAOYSA-N
norman_susdat_id: NS00072203
pubchem_cid: 25210273
smiles: CCNC(=O)c1cc2c(-c3cc(OCCN4CCCC4)c(Cl)cc3Cl)nc(N)nc2s1
inchi:
InChI=1S/C21H23Cl2N5O2S/c1-2-25-19(29)17-10-13-18(26-21(24)27-20(13)31-17)12-9-16(15(23)11-14(12)22)30-8-7-28-5-3-4-6-28/h9-11H,2-8H2,1H3,(H,25,29)(H2,24,26,27)


name: 2-Isopropyl-5-methyl-N-(2-(2-pyridyl)ethyl)cyclohexanecarboxamide, (1R,2S,5R)-
cas: 847565-09-7
chemspiderid: 32700808
dtxsid: DTXSID90239105
formula: C18H28N2O1
inchikey: WXABJFUNSDXVNH-HYVNUMGLSA-N
norman_susdat_id: NS00007244
pubchem_cid: 25126651
smiles: CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCCc1ccccn1
inchi:
InChI=1S/C18H28N2O/c1-13(2)16-8-7-14(3)12-17(16)18(21)20-11-9-15-6-4-5-10-19-15/h4-6,10,13-14,16-17H,7-9,11-12H2,1-3H3,(H,20,21)/t14-,16+,17-/m1/s1


name: Tetradecyl isononanoate
cas: 84777-62-8
chemspiderid: 31150032
dtxsid: DTXSID70233808
formula: C23H46O2
inchikey: YALQPLPKVALUTE-UHFFFAOYSA-N
norman_susdat_id: NS00038644
pubchem_cid: 44151333
smiles: CCCCCCCCCCCCCCOC(=O)CCCCCC(C)C
inchi:
InChI=1S/C23H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-25-23(24)20-17-15-16-19-22(2)3/h22H,4-21H2,1-3H3


name: Rezatomidine
cas: 847829-38-3
dtxsid: DTXSID00233811
formula: C13H16N2S
inchikey: WQXVKEDUCPMRRI-JTQLQIEISA-N
norman_susdat_id: NS00071027
smiles: Cc1cccc([C@H](C)c2c[nH]c(=S)[nH]2)c1C
inchi:
InChI=1S/C13H16N2S/c1-8-5-4-6-11(9(8)2)10(3)12-7-14-13(16)15-12/h4-7,10H,1-3H3,(H2,14,15,16)/t10-/m0/s1


name: [phthaloylbis(oxy)]bis[dibutyl(octyloxy)stannane]
cas: 84787-73-5
dtxsid: DTXSID80233814
formula: C40H74O6Sn2
inchikey: FHHCAYOHUSYAQK-UHFFFAOYSA-L
norman_susdat_id: NS00060591
pubchem_cid: NA
smiles: O=C(O[Sn](OCCCCCCCC)(CCCC)CCCC)C=1C=CC=CC1C(=O)O[Sn](OCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/C8H6O4.2C8H17O.4C4H9.2Sn/c9-7(10)5-3-1-2-4-6(5)8(11)12;2*1-2-3-4-5-6-7-8-9;4*1-3-4-2;;/h1-4H,(H,9,10)(H,11,12);2*2-8H2,1H3;4*1,3-4H2,2H3;;/q;2*-1;;;;;2*+2/p-2/rC40H74O6Sn2/c1-7-13-19-21-23-27-31-43-47(33-15-9-3,34-16-10-4)45-39(41)37-29-25-26-30-38(37)40(42)46-48(35-17-11-5,36-18-12-6)44-32-28-24-22-20-14-8-2/h25-26,29-30H,7-24,27-28,31-36H2,1-6H3


name: 1,1,3,3-tetrabutyl-1,3-bis(tetradecyloxy)distannoxane
cas: 84787-74-6
dtxsid: DTXSID40233815
formula: C44H94O3Sn2
inchikey: LKHTYEXCONZOSS-UHFFFAOYSA-N
norman_susdat_id: NS00061024
pubchem_cid: 20183891
smiles: O(CCCCCCCCCCCCCC)[Sn](O[Sn](OCCCCCCCCCCCCCC)(CCCC)CCCC)(CCCC)CCCC
inchi:
InChI=1/2C14H29O.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;4*1-3-4-2;;;/h2*2-14H2,1H3;4*1,3-4H2,2H3;;;/q2*-1;;;;;;2*+1/rC44H94O3Sn2/c1-7-13-19-21-23-25-27-29-31-33-35-37-39-45-48(41-15-9-3,42-16-10-4)47-49(43-17-11-5,44-18-12-6)46-40-38-36-34-32-30-28-26-24-22-20-14-8-2/h7-44H2,1-6H3


name: Dodecyl bis(4-nonylphenyl) phosphite
cas: 84787-76-8
dtxsid: DTXSID60233817
formula: C42H71O3P
inchikey: YWOPISHOKCSBRA-UHFFFAOYSA-N
norman_susdat_id: NS00060592
pubchem_cid: 5743861
smiles: O(C1=CC=C(C=C1)CCCCCCCCC)P(OC2=CC=C(C=C2)CCCCCCCCC)OCCCCCCCCCCCC
inchi:
InChI=1/C42H71O3P/c1-4-7-10-13-16-17-18-21-24-27-38-43-46(44-41-34-30-39(31-35-41)28-25-22-19-14-11-8-5-2)45-42-36-32-40(33-37-42)29-26-23-20-15-12-9-6-3/h30-37H,4-29,38H2,1-3H3


name: 4-nonylphenyl ditridecyl phosphite
cas: 84787-77-9
dtxsid: DTXSID20233818
formula: C41H77O3P
inchikey: CEQWIUHWWZAJEI-UHFFFAOYSA-N
norman_susdat_id: NS00061025
pubchem_cid: 5743862
smiles: O(C1=CC=C(C=C1)CCCCCCCCC)P(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC
inchi:
InChI=1/C41H77O3P/c1-4-7-10-13-16-18-20-22-25-28-31-38-42-45(43-39-32-29-26-23-21-19-17-14-11-8-5-2)44-41-36-34-40(35-37-41)33-30-27-24-15-12-9-6-3/h34-37H,4-33,38-39H2,1-3H3


name: Bis(4-nonylphenyl) tridecyl phosphite
cas: 84787-78-0
dtxsid: DTXSID80233819
formula: C43H73O3P
inchikey: YVLPWWITIWFSKQ-UHFFFAOYSA-N
norman_susdat_id: NS00061175
pubchem_cid: 5743863
smiles: O(C1=CC=C(C=C1)CCCCCCCCC)P(OC2=CC=C(C=C2)CCCCCCCCC)OCCCCCCCCCCCCC
inchi:
InChI=1/C43H73O3P/c1-4-7-10-13-16-17-18-19-22-25-28-39-44-47(45-42-35-31-40(32-36-42)29-26-23-20-14-11-8-5-2)46-43-37-33-41(34-38-43)30-27-24-21-15-12-9-6-3/h31-38H,4-30,39H2,1-3H3


name: Hexadecyl 6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannaoctacosa-2,9-dienoate
cas: 84787-79-1
formula: C48H88O8Sn
inchikey: WKBGYBQIHPLBDZ-UHFFFAOYSA-L
norman_susdat_id: NS00061193
pubchem_cid: 53436616
smiles: O=C(OCCCCCCCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/2C20H36O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22;2*1-3-4-2;/h2*16-17H,2-15,18H2,1H3,(H,21,22);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC48H88O8Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-41-53-45(49)37-39-47(51)55-57(43-11-7-3,44-12-8-4)56-48(52)40-38-46(50)54-42-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h37-40H,5-36,41-44H2,1-4H3


cas: 84787-80-4
formula: C46H96O6S2Sn3
inchikey: WCTDFLQCXMYEDC-UHFFFAOYSA-J
norman_susdat_id: NS00061026
pubchem_cid: NA
smiles: O=C(O[Sn](OCC(CC)CCCC)(CCCC)CCCC)CCS[Sn](SCCC(=O)O[Sn](OCC(CC)CCCC)(CCCC)CCCC)(CCCC)CCCC
name:
8,8,14,14,20,20-hexabutyl-5,23-diethyl-10,18-dioxo-7,9,19,21-tetraoxa-13,15-dithia-8,14,20-tristannaheptacosane

inchi:
InChI=1/2C8H17O.6C4H9.2C3H6O2S.3Sn/c2*1-3-5-6-8(4-2)7-9;6*1-3-4-2;2*4-3(5)1-2-6;;;/h2*8H,3-7H2,1-2H3;6*1,3-4H2,2H3;2*6H,1-2H2,(H,4,5);;;/q2*-1;;;;;;;;;3*+2/p-4/rC46H96O6S2Sn3/c1-11-21-29-43(19-9)41-49-55(35-23-13-3,36-24-14-4)51-45(47)31-33-53-57(39-27-17-7,40-28-18-8)54-34-32-46(48)52-56(37-25-15-5,38-26-16-6)50-42-44(20-10)30-22-12-2/h43-44H,11-42H2,1-10H3


name: Ethyl N2-((tert-butoxy)carbonyl)-L-argininate
cas: 84787-81-5
chemspiderid: 21164361
dtxsid: DTXSID90233820
formula: C13H26N4O4
inchikey: JKZMXQZMRLNPJJ-VIFPVBQESA-N
norman_susdat_id: NS00038647
pubchem_cid: 44151919
smiles: CCOC(=O)C(CCCN=C(N)N)NC(=O)OC(C)(C)C
inchi:
InChI=1S/C13H26N4O4/c1-5-20-10(18)9(7-6-8-16-11(14)15)17-12(19)21-13(2,3)4/h9H,5-8H2,1-4H3,(H,17,19)(H4,14,15,16)/t9-/m0/s1


name: Bis(2-methylpropyl) 4-(dimethylamino)phthalate
cas: 84787-86-0
chemspiderid: 2287106
dtxsid: DTXSID70233823
formula: C18H27N1O4
inchikey: FKRSLRWHBAPVMF-UHFFFAOYSA-N
norman_susdat_id: NS00038649
pubchem_cid: 3020122
smiles: CC(C)COC(=O)c1c(cc(cc1)N(C)C)C(=O)OCC(C)C
inchi:
InChI=1S/C18H27NO4/c1-12(2)10-22-17(20)15-8-7-14(19(5)6)9-16(15)18(21)23-11-13(3)4/h7-9,12-13H,10-11H2,1-6H3


name: 3-methyl-2-[(1-methyl-2-phenyl-1H-indol-3-yl)azo]thiazolium acetate
cas: 84787-87-1
formula: C19H17N4S.C2H3O2
inchikey: ZKJQYZFOLOZTBN-UHFFFAOYSA-M
norman_susdat_id: NS00090562
smiles: [O-]C(C)=O.Cn3c(c(N=Nc1scc[n+]1C)c2ccccc23)c4ccccc4
inchi:
InChI=1/C19H17N4S.C2H4O2/c1-22-12-13-24-19(22)21-20-17-15-10-6-7-11-16(15)23(2)18(17)14-8-4-3-5-9-14;1-2(3)4/h3-13H,1-2H3;1H3,(H,3,4)/q+1;/p-1


name: Bis[1,4-dimethyl-5-[(2-phenyl-1H-indol-3-yl)azo]-1H-1,2,4-triazolium] sulphate
cas: 84787-88-2
formula: C18H17N6
inchikey: VUAVPUTXQKFKMH-UHFFFAOYSA-N
norman_susdat_id: NS00062257
pubchem_cid: NA
inchi:
InChI=1/2C18H16N6.H2O4S/c2*1-23-12-19-24(2)18(23)22-21-17-14-10-6-7-11-15(14)20-16(17)13-8-4-3-5-9-13;1-5(2,3)4/h2*3-12H,1-2H3;(H2,1,2,3,4)

smiles:
O=S(=O)([O-])[O-].N(=NC=1N(N=C[N+]1C)C)C=2C=3C=CC=CC3NC2C=4C=CC=CC4.N(=NC=1N(N=C[N+]1C)C)C=2C=3C=CC=CC3NC2C=4C=CC=CC4


name: Dimethyloleoyl[3-(stearoylamino)propyl]ammonium chloride
cas: 84787-90-6
formula: C41H81N2O2
inchikey: ZWRXPDOCSMTWOM-KGYDJYTLSA-N
norman_susdat_id: NS00061194
pubchem_cid: 44153034
smiles: [Cl-].O=C(NCCC[N+](C(=O)CCCCCCCC=CCCCCCCCC)(C)C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C41H80N2O2.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-40(44)42-38-35-39-43(3,4)41(45)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h20,22H,5-19,21,23-39H2,1-4H3;1H


name: 5-chloro-2-[2-[4-(dimethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride
cas: 84787-97-3
dtxsid: DTXSID301005070
formula: C21H24ClN2
inchikey: ASOVORFALUQZRZ-UHFFFAOYSA-M
norman_susdat_id: NS00061049
pubchem_cid: NA
smiles: [Cl-].ClC=1C=CC2=C(C1)C(C(C=CC3=CC=C(C=C3)N(C)C)=[N+]2C)(C)C
inchi:
InChI=1/C21H24ClN2.ClH/c1-21(2)18-14-16(22)9-12-19(18)24(5)20(21)13-8-15-6-10-17(11-7-15)23(3)4;/h6-14H,1-5H3;1H/q+1;/p-1


name: 2-[[4-(dimethylamino)-2,5-dimethoxyphenyl]azo]-1,3-dimethyl-1H-imidazolium methyl sulphate
cas: 84787-99-5
dtxsid: DTXSID001005071
formula: C15H23N5O2
inchikey: GIETXTGEHLNCCP-UHFFFAOYSA-N
norman_susdat_id: NS00060593
pubchem_cid: NA
smiles: O=S(=O)([O-])OC.N(=NC1N(C=C[NH+]1C)C)C=2C=C(OC)C(=CC2OC)N(C)C
inchi:
InChI=1/C15H23N5O2.CH4O4S/c1-18(2)12-10-13(21-5)11(9-14(12)22-6)16-17-15-19(3)7-8-20(15)4;1-5-6(2,3)4/h7-10,15H,1-6H3;1H3,(H,2,3,4)


name: 1,4-dimethyl-5-[(2-phenyl-1H-indol-3-yl)azo]-1H-1,2,4-triazolium chloride
cas: 84788-01-2
dtxsid: DTXSID701005072
formula: NA
inchikey: YQVQSYSGSOUXAO-UHFFFAOYSA-N
norman_susdat_id: NS00061195
pubchem_cid: 135853726
smiles: [Cl-].CN4/C=N[NH+](C)C4/N=N/c1c3ccccc3nc1c2ccccc2
inchi:
InChI=1/C18H18N6.ClH/c1-23-12-19-24(2)18(23)22-21-17-14-10-6-7-11-15(14)20-16(17)13-8-4-3-5-9-13;/h3-12,18,20H,1-2H3;1H


name: 2-[[(1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)methyl]azo]-3-methylbenzothiazolium acetate
cas: 84788-02-3
formula: C18H18N5S.C2H3O2
inchikey: OWCGXKHEAXZCBC-UHFFFAOYSA-M
norman_susdat_id: NS00091044
smiles: [O-]C(C)=O.CN\4c1ccccc1N(C)C/4=C\N=Nc3sc2ccccc2[n+]3C
inchi:
InChI=1/C18H18N5S.C2H4O2/c1-21-13-8-4-5-9-14(13)22(2)17(21)12-19-20-18-23(3)15-10-6-7-11-16(15)24-18;1-2(3)4/h4-12H,1-3H3;1H3,(H,3,4)/q+1;/p-1


name: 1,3,3-trimethyl-2-[(methylphenylhydrazono)methyl]-3H-indolium nitrate
cas: 84788-03-4
formula: C19H22N3.NO3
inchikey: QIGUALQIMHGHGD-UHFFFAOYSA-N
norman_susdat_id: NS00090616
smiles: [O-][N+]([O-])=O.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2
inchi:
InChI=1/C19H22N3.NO3/c1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;2-1(3)4/h5-14H,1-4H3;/q+1;-1


name: 4-(Bis(phenylmethyl)amino)-3-ethoxybenzenediazonium tetrafluoroborate
cas: 84788-07-8
chemspiderid: 17333725
dtxsid: DTXSID50233826
formula: C22H22N3O1
inchikey: NQMXZPCBBPPFGL-UHFFFAOYSA-N
norman_susdat_id: NS00038651
pubchem_cid: 16205524
smiles: F[B-](F)(F)F.CCOc1c(ccc(c1)[N+]#N)N(Cc1ccccc1)Cc1ccccc1
inchi:
InChI=1S/C22H22N3O/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/h3-15H,2,16-17H2,1H3/q+1


name: 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate
cas: 84788-10-3
chemspiderid: 2287109
dtxsid: DTXSID10233827
formula: C29H54O6
inchikey: FMDLYWIFUCEQJI-UHFFFAOYSA-N
norman_susdat_id: NS00038652
pubchem_cid: 3020130
smiles: CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCC
inchi:
InChI=1S/C29H54O6/c1-5-9-12-15-16-19-22-28(32)35-25-29(8-4,23-33-26(30)20-17-13-10-6-2)24-34-27(31)21-18-14-11-7-3/h5-25H2,1-4H3


name: 2-Amino-1,8-dihydroxy-5-(phenylamino)anthraquinone
cas: 84788-11-4
chemspiderid: 17333727
dtxsid: DTXSID70233828
formula: C20H14N2O4
inchikey: TVHDZTXXIBHODC-UHFFFAOYSA-N
norman_susdat_id: NS00038653
pubchem_cid: 16205526
smiles: Nc1c(O)c2c(cc1)C(=O)c1c(Nc3ccccc3)ccc(O)c1C2=O
inchi:
InChI=1S/C20H14N2O4/c21-12-7-6-11-15(19(12)25)20(26)17-14(23)9-8-13(16(17)18(11)24)22-10-4-2-1-3-5-10/h1-9,22-23,25H,21H2


name: Oxybis(2,2-bis(((1-oxoisodecyl)oxy)methyl)-3,1-propanediyl) diisodecanoate
cas: 84788-20-5
chemspiderid: 57510173
dtxsid: DTXSID00233831
formula: C70H130O13
inchikey: QBXIVNSTBYSVBQ-UHFFFAOYSA-N
norman_susdat_id: NS00020711
pubchem_cid: 44146718
inchi:
InChI=1S/C70H130O13/c1-57(2)37-25-13-19-31-43-63(71)78-51-69(52-79-64(72)44-32-20-14-26-38-58(3)4,53-80-65(73)45-33-21-15-27-39-59(5)6)49-77-50-70(54-81-66(74)46-34-22-16-28-40-60(7)8,55-82-67(75)47-35-23-17-29-41-61(9)10)56-83-68(76)48-36-24-18-30-42-62(11)12/h57-62H,13-56H2,1-12H3

smiles:
CC(C)CCCCCCC(=O)OCC(COCC(COC(=O)CCCCCCC(C)C)(COC(=O)CCCCCCC(C)C)COC(=O)CCCCCCC(C)C)(COC(=O)CCCCCCC(C)C)COC(=O)CCCCCCC(C)C


name: (R)-((Allyloxy)carbonylamino)(4-hydroxyphenyl)acetic acid
cas: 84792-41-6
chemspiderid: 2287110
dtxsid: DTXSID60233832
formula: C12H13N1O5
inchikey: QOXGDQIXNKKWHC-SNVBAGLBSA-N
norman_susdat_id: NS00038654
pubchem_cid: 11357171
smiles: OC(=O)C(NC(=O)OCC=C)c1ccc(O)cc1
inchi:
InChI=1S/C12H13NO5/c1-2-7-18-12(17)13-10(11(15)16)8-3-5-9(14)6-4-8/h2-6,10,14H,1,7H2,(H,13,17)(H,15,16)/t10-/m0/s1


name: Ro-4929097
cas: 847925-91-1
chebiid: CHEBI:86474
dtxsid: DTXSID20233833
formula: C22H20F5N3O3
inchikey: OJPLJFIFUQPSJR-INIZCTEOSA-N
norman_susdat_id: NS00072583
pubchem_cid: 49867930
smiles: CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)Nc2ccccc2-c2ccccc21
inchi:
InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1


name: Ethyl (2S)-2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutanoate
cas: 84793-24-8
chemspiderid: 3829422
dtxsid: DTXSID10432893
formula: C16H19N1O5
inchikey: GFZFELCFSBCPDB-AAEUAGOBSA-N
norman_susdat_id: NS00020892
pubchem_cid: 9922512
smiles: CCOC(=O)[C@H](CCC1=CC=CC=C1)N1[C@@H](C)C(=O)OC1=O
inchi:
InChI=1S/C16H19NO5/c1-3-21-15(19)13(10-9-12-7-5-4-6-8-12)17-11(2)14(18)22-16(17)20/h4-8,11,13H,3,9-10H2,1-2H3/t11-,13-/m0/s1


name: N-(N-L-alanyl-L-alanyl)-O-methyl-L-alanine monoacetate
cas: 84794-58-1
dtxsid: DTXSID301005082
formula: C10H19N3O4
inchikey: OIXCZCRTUYQFFJ-MKXDVQRUSA-N
norman_susdat_id: NS00062325
pubchem_cid: 6364618
smiles: O=C(O)C.O=C(OC)C(NC(=O)C(NC(=O)C(N)C)C)C
inchi:
InChI=1/C10H19N3O4.C2H4O2/c1-5(11)8(14)12-6(2)9(15)13-7(3)10(16)17-4;1-2(3)4/h5-7H,11H2,1-4H3,(H,12,14)(H,13,15);1H3,(H,3,4)


name: 5-(4-fluorobenzoyl)-4-hydroxy-2-methoxybenzenesulphonic acid
cas: 84794-98-9
dtxsid: DTXSID80233834
formula: C14H11FO6S
inchikey: JQQGRPUCPLTRPG-UHFFFAOYSA-N
norman_susdat_id: NS00060644
pubchem_cid: 3020132
smiles: O=C(C1=CC=C(F)C=C1)C=2C=C(C(OC)=CC2O)S(=O)(=O)O
inchi:
InChI=1/C14H11FO6S/c1-21-12-7-11(16)10(6-13(12)22(18,19)20)14(17)8-2-4-9(15)5-3-8/h2-7,16H,1H3,(H,18,19,20)


name: hydroxy-octadecenoic acid
cas: 84799-84-8
chemspiderid: 62008
formula: C18H34O3
inchikey: NMAOJFAMEOVURT-UHFFFAOYSA-N
norman_susdat_id: NS00010590
pubchem_cid: 68764
smiles: CCCCCCC1CCC(C1CCCCCCC(=O)O)O
inchi:
InChI=1S/C18H34O3/c1-2-3-4-7-10-15-13-14-17(19)16(15)11-8-5-6-9-12-18(20)21/h15-17,19H,2-14H2,1H3,(H,20,21)


name: (±)-13-ethyl-3-methoxygona-1,3,5(10),8,14-pentaen-17-one
cas: 848-07-7
formula: C20H22O2
inchikey: ZKFDNQOPOKFLFH-UHFFFAOYSA-N
norman_susdat_id: NS00042919
pubchem_cid: 102500
smiles: O=C1CC=C2C3=C(C=4C=CC(OC)=CC4CC3)CCC21CC
inchi:
InChI=1/C20H22O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7-8,12H,3-4,6,9-11H2,1-2H3


name: Norgestrienone
cas: 848-21-5
chebiid: CHEBI:135231
dtxsid: DTXSID30878491
formula: C20H22O2
inchikey: GVDMJXQHPUYPHP-FYQPLNBISA-N
norman_susdat_id: NS00042024
pubchem_cid: 13313
smiles: O=C1C=C2C(=C3C=CC4(C)C(CCC4(O)C#C)C3CC2)CC1
inchi:
InChI=1/C20H22O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,8,10,12,17-18,22H,4-7,9,11H2,2H3


name: Homochlorcyclizine
cas: 848-53-3
chebiid: CHEBI:91588
chemspiderid: 3501
dtxsid: DTXSID9045635
formula: C19H23Cl1N2
inchikey: WEUCDJCFJHYFRL-UHFFFAOYNA-N
norman_susdat_id: NS00038690
pubchem_cid: NA
smiles: [Cl-].C[NH+]1CCCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
inchi:
InChI=1S/C19H23ClN2/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17/h2-4,6-11,19H,5,12-15H2,1H3/t19-/m0/s1


name: lormetazepam
cas: 848-75-9
chebiid: CHEBI:52993
chemspiderid: 12750
formula: C16H12Cl2N2O2
inchikey: FJIKWRGCXUCUIG-UHFFFAOYSA-N
norman_susdat_id: NS00010067
pubchem_cid: 13314
smiles: CN1c2ccc(Cl)cc2C(=NC(O)C1=O)c1ccccc1Cl
inchi:
InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3


name: 4-butyl-4-(hydroxymethyl)-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
cas: 84803-48-5
dtxsid: DTXSID501005088
formula: C20H22N2O4
inchikey: BZLRLKIDKINDQD-UHFFFAOYSA-N
norman_susdat_id: NS00061286
pubchem_cid: 3020134
smiles: O=C1N(C=2C=CC=CC2)N(C3=CC=C(O)C=C3)C(=O)C1(CO)CCCC
inchi:
InChI=1/C20H22N2O4/c1-2-3-13-20(14-23)18(25)21(15-7-5-4-6-8-15)22(19(20)26)16-9-11-17(24)12-10-16/h4-12,23-24H,2-3,13-14H2,1H3


cas: 84803-54-3
formula: C39H39N3O8S2
inchikey: GDJUVTRLMOHUPB-UHFFFAOYSA-N
norman_susdat_id: NS00062542
pubchem_cid: NA
name:
Benzhydryl a-(1-morpholinoethylidene)-4-oxo-3-[(phenoxyacetyl)amino]-2-[[(p-tolyl)sulphonyl]thio]azetidine-1-acetate

inchi:
InChI=1/C39H39N3O8S2/c1-27-18-20-32(21-19-27)52(46,47)51-38-34(40-33(43)26-49-31-16-10-5-11-17-31)37(44)42(38)35(28(2)41-22-24-48-25-23-41)39(45)50-36(29-12-6-3-7-13-29)30-14-8-4-9-15-30/h3-21,34,36,38H,22-26H2,1-2H3,(H,40,43)

smiles:
O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C(=C(N3CCOCC3)C)N4C(=O)C(NC(=O)COC=5C=CC=CC5)C4SS(=O)(=O)C6=CC=C(C=C6)C


name: p-methyl-a-undecylbenzylamine hydrochloride
cas: 84803-58-7
formula: C19H33N
inchikey: IMWYTJXLRVILSZ-UHFFFAOYSA-N
norman_susdat_id: NS00061269
pubchem_cid: 21156146
smiles: Cl.NC(C1=CC=C(C=C1)C)CCCCCCCCCCC
inchi:
InChI=1/C19H33N.ClH/c1-3-4-5-6-7-8-9-10-11-12-19(20)18-15-13-17(2)14-16-18;/h13-16,19H,3-12,20H2,1-2H3;1H


name: 4-((4-Chlorophenyl)amino)-3-nitrobenzenesulphonic acid
cas: 84803-59-8
chemspiderid: 2287115
dtxsid: DTXSID50233846
formula: C12H9Cl1N2O5S1
inchikey: NPIGPRQZIZVVCV-UHFFFAOYSA-N
norman_susdat_id: NS00038661
pubchem_cid: 3020136
smiles: OS(=O)(=O)c1cc(c(Nc2ccc(Cl)cc2)cc1)[N+](=O)[O-]
inchi:
InChI=1S/C12H9ClN2O5S/c13-8-1-3-9(4-2-8)14-11-6-5-10(21(18,19)20)7-12(11)15(16)17/h1-7,14H,(H,18,19,20)


name: 5-Acetyl-10,11-dihydro-5H-dibenz(b,f)azepin-3-amine
cas: 84803-67-8
chemspiderid: 665280
dtxsid: DTXSID70233848
formula: C16H16N2O1
inchikey: SEUMPHLDWPKWRO-UHFFFAOYSA-N
norman_susdat_id: NS00038663
pubchem_cid: 760875
smiles: CC(=O)N1c2ccccc2CCc2c1cc(N)cc2
inchi:
InChI=1S/C16H16N2O/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7,17H2,1H3


name: 1,5-Bis(4-chlorophenyl)-2,5-dihydro-2,2-dimethyl-1H-imidazo(4,5-b)phenazine
cas: 84803-71-4
chemspiderid: 314282
dtxsid: DTXSID00233851
formula: C27H20Cl2N4
inchikey: HFSRYMCNSIJDJB-UHFFFAOYSA-N
norman_susdat_id: NS00038666
pubchem_cid: 354039
smiles: CC1(C)N=c2cc3n(c4ccc(Cl)cc4)c4c(cccc4)nc3cc2N1c1ccc(Cl)cc1
inchi:
InChI=1S/C27H20Cl2N4/c1-27(2)31-23-16-25-22(15-26(23)33(27)20-13-9-18(29)10-14-20)30-21-5-3-4-6-24(21)32(25)19-11-7-17(28)8-12-19/h3-16H,1-2H3


name: N2-[(benzyloxy)carbonyl]-N6-(tert-butoxycarbonyl)-L-lysine, compound with cyclohexylamine (1:1)
cas: 84803-72-5
formula: C19H28N2O6.C6H13N
inchikey: PXENBDIRURLRNF-RSAXXLAASA-N
norman_susdat_id: NS00091183
smiles: CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O.NC2CCCCC2
inchi:
InChI=1/C19H28N2O6.C6H13N/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14;7-6-4-2-1-3-5-6/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23);6H,1-5,7H2


name: Diethyl 2,4-diacetyl-3-(4-chlorophenyl)glutarate
cas: 84803-73-6
dtxsid: DTXSID401005097
formula: C19H23ClO6
inchikey: DNQLYCOOQIWASI-UHFFFAOYSA-N
norman_susdat_id: NS00062544
pubchem_cid: 3020141
smiles: O=C(OCC)C(C(=O)C)C(C1=CC=C(Cl)C=C1)C(C(=O)OCC)C(=O)C
inchi:
InChI=1/C19H23ClO6/c1-5-25-18(23)15(11(3)21)17(13-7-9-14(20)10-8-13)16(12(4)22)19(24)26-6-2/h7-10,15-17H,5-6H2,1-4H3


name: Heptane, 1,1,1,2,3,3,4,5,5,6,7,7,7-tridecafluoro-2,4,6-tris(trifluoromethyl)-
cas: 84808-63-9
chemspiderid: NA
dtxsid: DTXSID70881000
formula: C10F22
inchikey: PSVVJGAGHXHJDI-UHFFFAOYSA-N
norman_susdat_id: NS00019263
pubchem_cid: NA
smiles: FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C10F22/c11-1(6(18,19)20,4(14,15)2(12,7(21,22)23)8(24,25)26)5(16,17)3(13,9(27,28)29)10(30,31)32


name: 2-chloro-5-methoxy-4-(2-pyridylamino)benzenediazonium tetrachlorozincate (2:1)
cas: 84812-59-9
formula: C12H10ClN4O.1/2Cl4Zn
inchikey: LMHPLJABFAXBGL-UHFFFAOYSA-J
norman_susdat_id: NS00090650
smiles: COc1cc([N+]#N)c(Cl)cc1Nc2ccccn2.COc3cc([N+]#N)c(Cl)cc3Nc4ccccn4.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C12H10ClN4O.4ClH.Zn/c2*1-18-11-7-9(17-14)8(13)6-10(11)16-12-4-2-3-5-15-12;;;;;/h2*2-7H,1H3,(H,15,16);4*1H;/q2*+1;;;;;+2/p-4/r2C12H10ClN4O.Cl4Zn/c2*1-18-11-7-9(17-14)8(13)6-10(11)16-12-4-2-3-5-15-12;1-5(2,3)4/h2*2-7H,1H3,(H,15,16);/q2*+1;-2


cas: 84812-84-0
formula: C36H31N3O8S4
inchikey: BTUHPFOSUILSJO-UHFFFAOYSA-N
norman_susdat_id: NS00061552
pubchem_cid: NA
name:
Benzhydryl 2-(benzothiazol-2-yldithio)-a-[1-[(methylsulphonyl)oxy]ethylidene]-4-oxo-3-[(phenoxyacetyl)amino]azetidine-1-acetate

inchi:
InChI=1/C36H31N3O8S4/c1-23(47-51(2,43)44)31(35(42)46-32(24-14-6-3-7-15-24)25-16-8-4-9-17-25)39-33(41)30(38-29(40)22-45-26-18-10-5-11-19-26)34(39)49-50-36-37-27-20-12-13-21-28(27)48-36/h3-21,30,32,34H,22H2,1-2H3,(H,38,40)

smiles:
O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C(=C(OS(=O)(=O)C)C)N3C(=O)C(NC(=O)COC=4C=CC=CC4)C3SSC5=NC=6C=CC=CC6S5


name: HKI 357
cas: 848133-17-5
dtxsid: DTXSID20233873
formula: C31H29ClFN5O3
inchikey: NERXPXBELDBEPZ-RMKNXTFCSA-N
norman_susdat_id: NS00071808
pubchem_cid: 11238512
smiles: CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C
inchi:
InChI=1S/C31H29ClFN5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)9-6-12-38(2)3)31(21(17-34)18-35-26)36-23-10-11-28(25(32)14-23)41-19-20-7-5-8-22(33)13-20/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,35,36)(H,37,39)/b9-6+


name: N-(4-Chloro-3-cyano-7-ethoxyquinolin-6-yl)acetamide
cas: 848133-76-6
chemspiderid: 9533161
dtxsid: DTXSID20463512
formula: C14H12Cl1N3O2
inchikey: XDXGFTCQRAQEEG-UHFFFAOYSA-N
norman_susdat_id: NS00005433
pubchem_cid: 11358234
smiles: CCOc1cc2ncc(C#N)c(Cl)c2cc1NC(C)=O
inchi:
InChI=1S/C14H12ClN3O2/c1-3-20-13-5-11-10(4-12(13)18-8(2)19)14(15)9(6-16)7-17-11/h4-5,7H,3H2,1-2H3,(H,18,19)


name: 6-Amino-4-{3-chloro-4-[(pyridin-2-yl)methoxy]anilino}-7-ethoxyquinoline-3-carbonitrile
cas: 848139-78-6
chemspiderid: 28189276
dtxsid: DTXSID90649528
formula: C24H20Cl1N5O2
inchikey: WRGKROVGVSWJMI-UHFFFAOYSA-N
norman_susdat_id: NS00003328
pubchem_cid: 25267648
smiles: CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1N
inchi:
InChI=1S/C24H20ClN5O2/c1-2-31-23-11-21-18(10-20(23)27)24(15(12-26)13-29-21)30-16-6-7-22(19(25)9-16)32-14-17-5-3-4-8-28-17/h3-11,13H,2,14,27H2,1H3,(H,29,30)


name: Alvelestat
cas: 848141-11-7
dtxsid: DTXSID40233875
formula: C25H22F3N5O4S
inchikey: QNQZWEGMKJBHEM-UHFFFAOYSA-N
norman_susdat_id: NS00072962
pubchem_cid: 46861623
smiles: Cc1c(-c2ccnn2C)cc(C(=O)NCc2ccc(S(C)(=O)=O)cn2)c(=O)n1-c1cccc(C(F)(F)F)c1
inchi:
InChI=1S/C25H22F3N5O4S/c1-15-20(22-9-10-31-32(22)2)12-21(23(34)30-13-17-7-8-19(14-29-17)38(3,36)37)24(35)33(15)18-6-4-5-16(11-18)25(26,27)28/h4-12,14H,13H2,1-3H3,(H,30,34)


cas: 84823-49-4
formula: C35H32N2O8S2
inchikey: JYBFYDOVDDHVMZ-UHFFFAOYSA-N
norman_susdat_id: NS00062593
pubchem_cid: NA
smiles: O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C(=C(O)C)N3C(=O)C(NC(=O)COC=4C=CC=CC4)C3SS(=O)(=O)C5=CC=C(C=C5)C
name:
Benzhydryl a-(1-hydroxyethylidene)-4-oxo-3-[(phenoxyacetyl)amino]-2-[[(p-tolyl)sulphonyl]thio]azetidine-1-acetate

inchi:
InChI=1/C35H32N2O8S2/c1-23-18-20-28(21-19-23)47(42,43)46-34-30(36-29(39)22-44-27-16-10-5-11-17-27)33(40)37(34)31(24(2)38)35(41)45-32(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-21,30,32,34,38H,22H2,1-2H3,(H,36,39)


name: 2-Undecyl-1H-imidazole-4-carbodithioic acid
cas: 84824-79-3
chemspiderid: 2287130
dtxsid: DTXSID90233880
formula: C15H26N2S2
inchikey: JLPZJNSJPMYRJA-UHFFFAOYSA-N
norman_susdat_id: NS00038671
pubchem_cid: 3020153
smiles: CCCCCCCCCCCc1ncc([nH]1)C(=S)S
inchi:
InChI=1S/C15H26N2S2/c1-2-3-4-5-6-7-8-9-10-11-14-16-12-13(17-14)15(18)19/h12H,2-11H2,1H3,(H,16,17)(H,18,19)


name: 2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulphonyl)phenyl]propyl chloroacetate
cas: 84824-83-9
dtxsid: DTXSID201005110
formula: C14H16Cl3NO6S
inchikey: ZSZQRRIQRPRATF-UHFFFAOYSA-N
norman_susdat_id: NS00062594
pubchem_cid: 16205533
smiles: O=C(OCC(NC(=O)C(Cl)Cl)C(O)C1=CC=C(C=C1)S(=O)(=O)C)CCl
inchi:
InChI=1/C14H16Cl3NO6S/c1-25(22,23)9-4-2-8(3-5-9)12(20)10(7-24-11(19)6-15)18-14(21)13(16)17/h2-5,10,12-13,20H,6-7H2,1H3,(H,18,21)


name: (5a,6a)-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl dipropionate
cas: 84824-85-1
formula: C22H25NO5
inchikey: MSDLXFLPPJZPQW-NEKAMENDSA-N
norman_susdat_id: NS00061577
pubchem_cid: 93483232
smiles: O=C(OC1=CC=C2C3=C1OC4C(OC(=O)CC)C=CC5C(NCCC345)C2)CC
inchi:
InChI=1/C22H25NO5/c1-3-17(24)26-15-7-5-12-11-14-13-6-8-16(27-18(25)4-2)21-22(13,9-10-23-14)19(12)20(15)28-21/h5-8,13-14,16,21,23H,3-4,9-11H2,1-2H3


name: (5a,6a)-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl acetate hydrochloride
cas: 84824-86-2
formula: C20H25NO4.ClH
inchikey: XTOJZLLCLXRDDW-RIMCYNRYSA-N
norman_susdat_id: NS00090664
smiles: Cl.COc1ccc2C[C@@H]3[C@@H]4CC[C@H](OC(=O)C)[C@@H]5Oc1c2[C@]45CCN3C
inchi:
InChI=1/C20H25NO4.ClH/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2;/h4,6,13-14,16,19H,5,7-10H2,1-3H3;1H


name: (5a,6a)-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl thiocyanate
cas: 84824-87-3
dtxsid: DTXSID601005112
formula: C19H22N2O2S
inchikey: YOHUSUMHNADSOZ-SSTWWWIQSA-N
norman_susdat_id: NS00061578
pubchem_cid: 57358858
smiles: N#CSC1CCC2C3N(C)CCC42C5=C(OC14)C(OC)=CC=C5C3
inchi:
InChI=1/C19H22N2O2S/c1-21-8-7-19-12-4-6-15(24-10-20)18(19)23-17-14(22-2)5-3-11(16(17)19)9-13(12)21/h3,5,12-13,15,18H,4,6-9H2,1-2H3


cas: 84824-89-5
formula: C28H28N6O4
inchikey: FAAZBDFGKPWTQU-BDCACXIJSA-N
norman_susdat_id: NS00060928
pubchem_cid: 92032678
smiles: O=C(OC)C1=COC(C)C2CN3CCC=4C=5C=CC(OC6=NN=NN6C=7C=CC=CC7)=CC5NC4C3CC12
name:
Methyl (19a)-16,17-didehydro-19-methyl-11-[(1-phenyl-1H-tetrazol-5-yl)oxy]oxayohimban-16-carboxylate

inchi:
InChI=1/C28H28N6O4/c1-16-22-14-33-11-10-20-19-9-8-18(38-28-30-31-32-34(28)17-6-4-3-5-7-17)12-24(19)29-26(20)25(33)13-21(22)23(15-37-16)27(35)36-2/h3-9,12,15-16,21-22,25,29H,10-11,13-14H2,1-2H3


name: 2,2'-Thiobis(6-tert-butyl-3,4-xylenol)
cas: 84824-95-3
chemspiderid: 34998933
dtxsid: DTXSID90233885
formula: C24H34O2S1
inchikey: VHPXGAUSWUFUPC-UHFFFAOYSA-N
norman_susdat_id: NS00038676
pubchem_cid: 44147175
smiles: Cc1cc(c(O)c(Sc2c(C)c(C)cc(c2O)C(C)(C)C)c1C)C(C)(C)C
inchi:
InChI=1S/C24H34O2S/c1-13-11-17(23(5,6)7)19(25)21(15(13)3)27-22-16(4)14(2)12-18(20(22)26)24(8,9)10/h11-12,25-26H,1-10H3


name: 3-Hydroxy-N-1H-indazol-6-ylnaphthalene-2-carboxamide
cas: 84837-23-0
chemspiderid: 2287135
dtxsid: DTXSID60233897
formula: C18H13N3O2
inchikey: JNDPAMPDNGVEPY-UHFFFAOYSA-N
norman_susdat_id: NS00038683
pubchem_cid: 3020162
smiles: Oc1cc2c(cccc2)cc1C(=O)Nc1cc2c(cn[nH]2)cc1
inchi:
InChI=1S/C18H13N3O2/c22-17-8-12-4-2-1-3-11(12)7-15(17)18(23)20-14-6-5-13-10-19-21-16(13)9-14/h1-10,22H,(H,19,21)(H,20,23)


name: Tributyl[(2,3-dibromo-2-methylpropionyl)oxy]stannane
cas: 84837-25-2
formula: C16H32Br2O2Sn
inchikey: WLXCSAZOCVANKN-UHFFFAOYSA-M
norman_susdat_id: NS00060762
pubchem_cid: 16684525
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)C(Br)(C)CBr
inchi:
InChI=1/C4H6Br2O2.3C4H9.Sn/c1-4(6,2-5)3(7)8;3*1-3-4-2;/h2H2,1H3,(H,7,8);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC16H32Br2O2Sn/c1-5-8-11-21(12-9-6-2,13-10-7-3)20-15(19)16(4,18)14-17/h5-14H2,1-4H3


name: Ritipenem
cas: 84845-57-8
chemspiderid: 59074
dtxsid: DTXSID60868840
formula: C10H12N2O6S1
inchikey: IKQNRQOUOZJHTR-UWBRJAPDSA-N
norman_susdat_id: NS00011617
pubchem_cid: 65633
smiles: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)COC(=O)N)C(=O)O)O
inchi:
InChI=1S/C10H12N2O6S/c1-3(13)5-7(14)12-6(9(15)16)4(19-8(5)12)2-18-10(11)17/h3,5,8,13H,2H2,1H3,(H2,11,17)(H,15,16)/t3-,5+,8-/m1/s1


name: Niperotidine
cas: 84845-75-0
formula: C20H26N4O5S
inchikey: HXRSXEDVVARPHP-UDWIEESQSA-N
norman_susdat_id: NS00099435
pubchem_cid: 3033952
smiles: CN(C)Cc1ccc(CSCCN/C(=C[N+](=O)[O-])NCc2ccc3c(c2)OCO3)o1
inchi:
InChI=1S/C20H26N4O5S/c1-23(2)11-16-4-5-17(29-16)13-30-8-7-21-20(12-24(25)26)22-10-15-3-6-18-19(9-15)28-14-27-18/h3-6,9,12,21-22H,7-8,10-11,13-14H2,1-2H3/b20-12+


name: hydrogen 7-aminonaphthalene-1,3,6-trisulphonic acid
cas: 84852-23-3
chemspiderid: 8046
formula: C10H9N1O9S3
inchikey: GFPQSWFFPRQEHH-UHFFFAOYSA-N
norman_susdat_id: NS00005553
pubchem_cid: 8349
smiles: Nc1cc2c(cc(cc2cc1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
inchi:
InChI=1S/C10H9NO9S3/c11-8-4-7-5(2-10(8)23(18,19)20)1-6(21(12,13)14)3-9(7)22(15,16)17/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)


cas: 84852-24-4
dtxsid: DTXSID401005128
formula: C23H20N4O9S3
inchikey: BPNBDRFMIGSYRB-UHFFFAOYSA-L
norman_susdat_id: NS00059545
pubchem_cid: 3023377
name:
Disodium 6-amino-4-hydroxy-5-[[4-[[(4-methyl-2-sulphonatophenyl)amino]sulphonyl]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C23H20N4O9S3.2Na/c1-13-2-9-19(21(10-13)39(34,35)36)27-37(29,30)16-6-4-15(5-7-16)25-26-23-18(24)8-3-14-11-17(38(31,32)33)12-20(28)22(14)23;;/h2-12,27-28H,24H2,1H3,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4S(=O)(=O)[O-])C)=C1


cas: 84852-25-5
formula: C34H35ClN6O8S2.2Na
inchikey: WVWPLKFFOGDOGN-UHFFFAOYSA-L
norman_susdat_id: NS00089860
name:
Disodium 5-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H35ClN6O8S2.2Na/c1-2-3-4-5-6-7-9-12-22-15-17-25(18-16-22)49-34-38-32(35)37-33(39-34)36-27-21-26(50(43,44)45)19-23-20-28(51(46,47)48)30(31(42)29(23)27)41-40-24-13-10-8-11-14-24;;/h8,10-11,13-21,42H,2-7,9,12H2,1H3,(H,43,44,45)(H,46,47,48)(H,36,37,38,39);;/q;2*+1/p-2

smiles:
[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Oc4ccc(CCCCCCCCC)cc4)n5


cas: 84852-26-6
dtxsid: DTXSID50233907
formula: C23H19N3O9S2
inchikey: KYZKUVKWCDIFNB-UHFFFAOYSA-L
norman_susdat_id: NS00061178
pubchem_cid: 11970874
smiles: [K+].[K+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=CC=C(C(=C4)NC(=O)CC)S(=O)(=O)[O-])=C13)S(=O)(=O)[O-]
name:
Dipotassium 1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[(1-oxopropyl)amino]-4-sulphonatophenyl]amino]anthracene-2-sulphonate

inchi:
InChI=1/C23H19N3O9S2.2K/c1-2-18(27)26-14-9-11(7-8-16(14)36(30,31)32)25-15-10-17(37(33,34)35)21(24)20-19(15)22(28)12-5-3-4-6-13(12)23(20)29;;/h3-10,25H,2,24H2,1H3,(H,26,27)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2


cas: 84852-27-7
formula: C56H28N4O8
inchikey: WURUFXAKONRZQU-UHFFFAOYSA-N
norman_susdat_id: NS00059546
pubchem_cid: 99711803
name:
N,N'-(5,6,7,12,17,18,19,24-octahydro-5,7,12,17,19,24-hexaoxodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-1,13-diyl)bis(benzamide)

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

smiles:
O=C(NC1=CC=CC=2C(=O)C=3C(=CC=C4C5=CC=C6C(=O)C=7C(=CC=C8C9=CC=C%10C(=O)C=%11C(=CC=CC%11C(=O)C%10=C9NC87)NC(=O)C=%12C=CC=CC%12)C(=O)C6=C5NC43)C(=O)C12)C=%13C=CC=CC%13


cas: 84852-28-8
formula: C63H35N5O9
inchikey: KCUOJKUIHYONQW-UHFFFAOYSA-N
norman_susdat_id: NS00060084
pubchem_cid: NA
name:
N,N',N''-(5,10,15,16,17,18,19,24-octahydro-5,10,15,17,19,24-hexaoxodinaphtho[2,3-i:2',3'-i']benzo[1,2-a:5,4-a']dicarbazole-4,11,23-triyl)tris(benzamide)

inchi:
InChI=1/C63H35N5O9/c69-33-25-45-41(49(70)26-33)27-42-37(57(45)71)22-19-34-43-29-48(65-62(76)31-13-6-2-7-14-31)51-46(54(43)66-53(34)42)28-44-38(58(51)72)23-20-35-36-21-24-40-52(56(36)68(55(35)44)67-63(77)32-15-8-3-9-16-32)60(74)39-17-10-18-47(50(39)59(40)73)64-61(75)30-11-4-1-5-12-30/h1-19,21-24,27-29H,20,25-26H2,(H,64,75)(H,65,76)(H,67,77)

smiles:
O=C(NC1=CC=CC=2C(=O)C3=C(C=CC4=C3N(NC(=O)C=5C=CC=CC5)C=6C7=CC=8C=9N=C%10C(=CC=C%11C(=O)C%12=C(C=C%10%11)C(=O)CC(=O)C%12)C9C=C(NC(=O)C=%13C=CC=CC%13)C8C(=O)C7=CCC46)C(=O)C12)C=%14C=CC=CC%14


name: Sodium 4-[[4-[(2-hydroxy-1-naphthyl)azo]-3-methylphenyl]azo]benzenesulphonate
cas: 84852-29-9
formula: C23H18N4O4S
inchikey: SUCDVUGDPZDKEJ-UHFFFAOYSA-M
norman_susdat_id: NS00060144
pubchem_cid: 3020169
smiles: [Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC3=C(O)C=CC=4C=CC=CC43)C(=C2)C)C=C1
inchi:
InChI=1/C23H18N4O4S.Na/c1-15-14-18(25-24-17-7-10-19(11-8-17)32(29,30)31)9-12-21(15)26-27-23-20-5-3-2-4-16(20)6-13-22(23)28;/h2-14,28H,1H3,(H,29,30,31);/q;+1/p-1


cas: 84852-31-3
formula: C20H18N4O9S2
inchikey: FDUUUOURFWZXLI-UHFFFAOYSA-L
norman_susdat_id: NS00060085
pubchem_cid: NA
smiles: [Na+].[Na+].O=C(NC1=CC=C(C(N=NC2=C(O)C3=CC(=CC=C3C=C2S(=O)(=O)[O-])NC(=O)C)=C1)S(=O)(=O)[O-])C
name:
Disodium 6-(acetylamino)-3-[[5-(acetylamino)-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C20H18N4O9S2.2Na/c1-10(25)21-13-4-3-12-7-18(35(31,32)33)19(20(27)15(12)8-13)24-23-16-9-14(22-11(2)26)5-6-17(16)34(28,29)30;;/h3-9,27H,1-2H3,(H,21,25)(H,22,26)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


name: Sodium 5-((2-hydroxy-5-((4-hydroxyphenyl)sulphonyl)phenyl)methyl)naphthalene-2-sulphonate
cas: 84852-32-4
dtxsid: DTXSID40897411
formula: C23H18O7S2
inchikey: WTSSYPJCYGKKGT-UHFFFAOYSA-M
norman_susdat_id: NS00060145
pubchem_cid: 3020173
smiles: [Na+].O=S(=O)([O-])C1=CC=C2C(C=CC=C2CC3=CC(=CC=C3O)S(=O)(=O)C4=CC=C(O)C=C4)=C1
inchi:
InChI=1/C23H18O7S2.Na/c24-18-4-6-19(7-5-18)31(26,27)20-9-11-23(25)17(14-20)12-15-2-1-3-16-13-21(32(28,29)30)8-10-22(15)16;/h1-11,13-14,24-25H,12H2,(H,28,29,30);/q;+1/p-1


name: Dihydrocoronene
cas: 84852-40-4
chemspiderid: 544984
dtxsid: DTXSID70233909
formula: C24H14
inchikey: QTOFPEIEEXFFFK-UHFFFAOYSA-N
norman_susdat_id: NS00038686
pubchem_cid: 627429
smiles: C1Cc2c3c4c1ccc1c4c4c(cc1)ccc1c4c3c(cc2)cc1
inchi:
InChI=1S/C24H14/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-9,11H,10,12H2


name: Potassium bis[2-[(2-ethylhexyl)oxy]ethyl] phosphate
cas: 84852-42-6
dtxsid: DTXSID801005132
formula: C20H43O6P
inchikey: XJWGZRPJAJERTO-UHFFFAOYSA-M
norman_susdat_id: NS00060131
pubchem_cid: 3020175
smiles: [K+].O=P([O-])(OCCOCC(CC)CCCC)OCCOCC(CC)CCCC
inchi:
InChI=1/C20H43O6P.K/c1-5-9-11-19(7-3)17-23-13-15-25-27(21,22)26-16-14-24-18-20(8-4)12-10-6-2;/h19-20H,5-18H2,1-4H3,(H,21,22);/q;+1/p-1


name: Bis[(pentabromophenyl)methyl] 1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
cas: 84852-58-4
dtxsid: DTXSID601005136
formula: C23H6Br10Cl6O4
inchikey: CTTMERDDZFEXGY-UHFFFAOYSA-N
norman_susdat_id: NS00060134
pubchem_cid: 44150866
inchi:
InChI=1/C23H6Br10Cl6O4/c24-7-3(8(25)12(29)15(32)11(7)28)1-42-19(40)5-6(22(37)18(35)17(34)21(5,36)23(22,38)39)20(41)43-2-4-9(26)13(30)16(33)14(31)10(4)27/h5-6H,1-2H2

smiles:
O=C(OCC=1C(Br)=C(Br)C(Br)=C(Br)C1Br)C2C(C(=O)OCC=3C(Br)=C(Br)C(Br)=C(Br)C3Br)C4(Cl)C(Cl)=C(Cl)C2(Cl)C4(Cl)Cl


name: 1-Hexadecanol, phosphate, potassium salt
cas: 84861-79-0
formula: -
inchikey: RMGVATURDVPNOZ-UHFFFAOYSA-L
norman_susdat_id: NS00090197
smiles: [K+].CCCCCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C16H35O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H2,17,18,19);/q;+1/p-2


cas: 84864-53-9
chemspiderid: 21164399
dtxsid: DTXSID80233915
formula: C29H39N1O6
inchikey: LXJDZBHLBVBEEY-UHFFFAOYSA-N
norman_susdat_id: NS00038692
pubchem_cid: 44147518
smiles: CCN(CC)CCC(=O)OCCOc1ccc(cc1)C(C)(C)c1ccc(OCCOC(=O)C=C)cc1
name:
2-(4-(1-Methyl-1-(4-(2-((1-oxoallyl)oxy)ethoxy)phenyl)ethyl)phenoxy)ethyl N,N-diethyl-beta-alaninate

inchi:
InChI=1S/C29H39NO6/c1-6-27(31)35-21-19-33-25-13-9-23(10-14-25)29(4,5)24-11-15-26(16-12-24)34-20-22-36-28(32)17-18-30(7-2)8-3/h6,9-16H,1,7-8,17-22H2,2-5H3


name: 2-[(butylthioxostannyl)thio]ethanol
cas: 84864-54-0
dtxsid: DTXSID40233916
formula: C6H14OS2Sn
inchikey: QOKSKFRCALBLJC-UHFFFAOYSA-M
norman_susdat_id: NS00061261
pubchem_cid: 16684526
smiles: S=[Sn](SCCO)CCCC
inchi:
InChI=1/C4H9.C2H6OS.S.Sn/c1-3-4-2;3-1-2-4;;/h1,3-4H2,2H3;3-4H,1-2H2;;/q;;;+1/p-1/rC6H14OS2Sn/c1-2-3-6-10(8)9-5-4-7/h7H,2-6H2,1H3


name: (2-hydroxyethyl)(2-hydroxyhexadecyl)dimethylammonium fluoride
cas: 84864-65-3
formula: C20H44NO2.F
inchikey: NWUIMHSUZKCLIG-UHFFFAOYSA-M
norman_susdat_id: NS00090210
smiles: [F-].CCCCCCCCCCCCCCC(O)C[N+](C)(C)CCO
inchi:
InChI=1/C20H44NO2.FH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19-21(2,3)17-18-22;/h20,22-23H,4-19H2,1-3H3;1H/q+1;/p-1


name: 1,2-didecyl 4-octyl benzene-1,2,4-tricarboxylate
cas: 84864-66-4
dtxsid: DTXSID40891257
formula: C37H62O6
inchikey: XANWHXYTNWDVPG-UHFFFAOYSA-N
norman_susdat_id: NS00060155
pubchem_cid: 3020186
smiles: O=C(OCCCCCCCC)C1=CC=C(C(=O)OCCCCCCCCCC)C(=C1)C(=O)OCCCCCCCCCC
inchi:
InChI=1/C37H62O6/c1-4-7-10-13-16-18-21-24-29-42-36(39)33-27-26-32(35(38)41-28-23-20-15-12-9-6-3)31-34(33)37(40)43-30-25-22-19-17-14-11-8-5-2/h26-27,31H,4-25,28-30H2,1-3H3


cas: 84864-67-5
formula: C85H156O14
inchikey: WETHZCNELWLBAS-UHFFFAOYSA-N
norman_susdat_id: NS00061262
pubchem_cid: NA
name:
1-hexadecyl 3-[2-[[3-hydroxy-5-(octadec-9-enyloxy)-3-[(octadec-9-enyloxy)carbonyl]-5-oxovaleroyl]oxy]-1-methylethyl] 2-octadecyl citrate

inchi:
InChI=1/C85H156O14/c1-6-10-14-18-22-26-30-34-38-41-45-49-53-56-60-64-68-94-78(86)72-84(92,82(90)96-70-66-62-58-54-50-46-42-39-35-31-27-23-19-15-11-7-2)74-80(88)98-76-77(5)99-81(89)75-85(93,73-79(87)95-69-65-61-57-52-48-44-37-33-29-25-21-17-13-9-4)83(91)97-71-67-63-59-55-51-47-43-40-36-32-28-24-20-16-12-8-3/h34-35,38-39,77,92-93H,6-33,36-37,40-76H2,1-5H3

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


name: Sodium 2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)quinoline-6-sulphonate
cas: 84864-68-6
formula: C18H11NO5S.Na
inchikey: UDGALIJSGBPQCX-UHFFFAOYSA-M
norman_susdat_id: NS00090211
smiles: [Na+].[O-]S(=O)(=O)c1ccc2nc(ccc2c1)C3C(=O)c4ccccc4C3=O
inchi:
InChI=1/C18H11NO5S.Na/c20-17-12-3-1-2-4-13(12)18(21)16(17)15-7-5-10-9-11(25(22,23)24)6-8-14(10)19-15;/h1-9,16H,(H,22,23,24);/q;+1/p-1


name: Sodium 2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)quinoline-8-sulphonate
cas: 84864-69-7
dtxsid: DTXSID30233925
formula: C18H11NO5S
inchikey: FYPFGVAVAPLSHG-UHFFFAOYSA-M
norman_susdat_id: NS00060156
pubchem_cid: 3020190
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C1C=3N=C4C(C=CC=C4S(=O)(=O)[O-])=CC3
inchi:
InChI=1/C18H11NO5S.Na/c20-17-11-5-1-2-6-12(11)18(21)15(17)13-9-8-10-4-3-7-14(16(10)19-13)25(22,23)24;/h1-9,15H,(H,22,23,24);/q;+1/p-1


name: 2-(14,15-Epoxyeicosatrienoyl) glycerol
cas: 848667-56-1
chebiid: CHEBI:132121
chemspiderid: 21374486
formula: C23H38O5
inchikey: LPMVKZXODWQHGJ-ILYOTBPNSA-N
norman_susdat_id: NS00017091
pubchem_cid: 53481916
smiles: CCCCCC1C(O1)CC=CCC=CCC=CCCCC(=O)OC(CO)CO
inchi:
InChI=1S/C23H38O5/c1-2-3-12-15-21-22(28-21)16-13-10-8-6-4-5-7-9-11-14-17-23(26)27-20(18-24)19-25/h4,6-7,9-10,13,20-22,24-25H,2-3,5,8,11-12,14-19H2,1H3/b6-4-,9-7-,13-10-


name: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9h-purin-2-amine
cas: 848695-25-0
chebiid: CHEBI:90687
formula: C14H15ClN6O
inchikey: QULDDKSCVCJTPV-UHFFFAOYSA-N
norman_susdat_id: NS00071234
pubchem_cid: 16736529
smiles: COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C
inchi:
InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)


name: 1,3-Benzenedicarbonitrile, 2-[[4-(diethylamino)-2-methylphenyl]azo]-5-nitro-
cas: 84870-65-5
chemspiderid: 2287155
dtxsid: DTXSID6074885
formula: C19H18N6O2
inchikey: HCOYTIPJLYJCDR-UHFFFAOYSA-N
norman_susdat_id: NS00020450
pubchem_cid: 3020191
smiles: CCN(CC)c1cc(C)c(cc1)N=Nc1c(cc(cc1C#N)[N+](=O)[O-])C#N
inchi:
InChI=1S/C19H18N6O2/c1-4-24(5-2)16-6-7-18(13(3)8-16)22-23-19-14(11-20)9-17(25(26)27)10-15(19)12-21/h6-10H,4-5H2,1-3H3/b23-22+


name: 1-amino-2-[4-[[4-(dibutylamino)-6-fluoro-1,3,5-triazin-2-yl]oxy]phenoxy]-4-hydroxyanthraquinone
cas: 84873-35-8
dtxsid: DTXSID80233930
formula: C31H30FN5O5
inchikey: BKRYGJMSCCNFDE-UHFFFAOYSA-N
norman_susdat_id: NS00059632
pubchem_cid: 16205537
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(N)C(OC4=CC=C(OC5=NC(F)=NC(=N5)N(CCCC)CCCC)C=C4)=CC(O)=C13
inchi:
InChI=1/C31H30FN5O5/c1-3-5-15-37(16-6-4-2)30-34-29(32)35-31(36-30)42-19-13-11-18(12-14-19)41-23-17-22(38)24-25(26(23)33)28(40)21-10-8-7-9-20(21)27(24)39/h7-14,17,38H,3-6,15-16,33H2,1-2H3


name: 3-carboxylato-1-[2-hydroxy-3-[(4-hydroxy-2-butenyl)oxy]propyl]pyridinium sodium chloride
cas: 84878-07-9
dtxsid: DTXSID201005158
formula: C13H18NO5
inchikey: HMUJISOTEUZKAL-UHFFFAOYSA-M
norman_susdat_id: NS00060200
pubchem_cid: 53425708
smiles: [Na+].[Cl-].O=C([O-])C1=CC=C[N+](=C1)CC(O)COCC=CCO
inchi:
InChI=1/C13H17NO5.ClH.Na/c15-6-1-2-7-19-10-12(16)9-14-5-3-4-11(8-14)13(17)18;;/h1-5,8,12,15-16H,6-7,9-10H2;1H;/q;;+1/p-1


name: (p-chlorobenzyl)[2-(dodecylamino)-2-oxoethyl]dimethylammonium chloride
cas: 84878-08-0
dtxsid: DTXSID901005159
formula: C23H40ClN2O
inchikey: UZKCYOSMAZCOCZ-UHFFFAOYSA-N
norman_susdat_id: NS00061320
pubchem_cid: 3020193
smiles: [Cl-].O=C(NCCCCCCCCCCCC)C[N+](C)(C)CC1=CC=C(Cl)C=C1
inchi:
InChI=1/C23H39ClN2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-18-25-23(27)20-26(2,3)19-21-14-16-22(24)17-15-21;/h14-17H,4-13,18-20H2,1-3H3;1H


name: Dialuminium tris[D-glucarate]
cas: 84878-15-9
formula: C6H10O8.2/3Al
inchikey: MDBWNKIVVXMWEI-GFPJEPEZSA-H
norman_susdat_id: NS00090223
inchi:
InChI=1/3C6H10O8.2Al/c3*7-1(3(9)5(11)12)2(8)4(10)6(13)14;;/h3*1-4,7-10H,(H,11,12)(H,13,14);;/q;;;2*+3/p-6

smiles:
[Al+3].[Al+3].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-].O[C@@H]([C@H](O)[C@H](O)C(=O)[O-])[C@@H](O)C(=O)[O-]


name: Butylammonium 4-[(2-hydroxy-1-naphthyl)azo]-3-methylbenzenesulphonate
cas: 84878-19-3
formula: C17H14N2O4S.C4H11N
inchikey: MMLCHXYJFMBYOZ-UHFFFAOYSA-N
norman_susdat_id: NS00090656
smiles: [NH3+]CCCC.[O-]S(=O)(=O)c3ccc(N=Nc1c2ccccc2ccc1O)c(C)c3
inchi:
InChI=1/C17H14N2O4S.C4H11N/c1-11-10-13(24(21,22)23)7-8-15(11)18-19-17-14-5-3-2-4-12(14)6-9-16(17)20;1-2-3-4-5/h2-10,20H,1H3,(H,21,22,23);2-5H2,1H3


name: 1-[[[(aminophenyl)methyl]phenyl]amino]-3-phenoxypropan-2-ol
cas: 84878-42-2
dtxsid: DTXSID701005177
formula: C22H24N2O2
inchikey: OGWYQTHMXLXCOH-UHFFFAOYSA-N
norman_susdat_id: NS00061321
pubchem_cid: 3020195
smiles: OC(COC=1C=CC=CC1)CNC=2C=CC=CC2CC=3C=CC=CC3N
inchi:
InChI=1/C22H24N2O2/c23-21-12-6-4-8-17(21)14-18-9-5-7-13-22(18)24-15-19(25)16-26-20-10-2-1-3-11-20/h1-13,19,24-25H,14-16,23H2


name: (13-Amino-2,5,8,11-tetraazatridec-1-yl)dimethylphenol
cas: 84878-45-5
chemspiderid: 21164416
dtxsid: DTXSID60233933
formula: C17H33N5O1
inchikey: ULEQTYYXSZMTLV-UHFFFAOYSA-N
norman_susdat_id: NS00038694
pubchem_cid: 44149355
smiles: Cc1c(O)ccc(CNCCNCCNCCNCCN)c1C
inchi:
InChI=1S/C17H33N5O/c1-14-15(2)17(23)4-3-16(14)13-22-12-11-21-10-9-20-8-7-19-6-5-18/h3-4,19-23H,5-13,18H2,1-2H3


name: [[[[(aminophenyl)methyl]phenyl]amino]methyl]phenol
cas: 84878-47-7
formula: C20H20N2O
inchikey: CPFZPORDJIEQNC-UHFFFAOYSA-N
norman_susdat_id: NS00061324
pubchem_cid: 3020199
smiles: OC=1C=CC=CC1CNC=2C=CC=CC2CC=3C=CC=CC3N
inchi:
InChI=1/C20H20N2O/c21-18-10-4-1-7-15(18)13-16-8-2-5-11-19(16)22-14-17-9-3-6-12-20(17)23/h1-12,22-23H,13-14,21H2


name: Cadmium bis(nonylphenolate)
cas: 84878-48-8
formula: C15H24O.1/2Cd
inchikey: VBAVXGAIISNHIY-UHFFFAOYSA-L
norman_susdat_id: NS00089920
smiles: [Cd+2].CCCCCCCCCc1ccccc1[O-].CCCCCCCCCc2ccccc2[O-]
inchi:
InChI=1/2C15H24O.Cd/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;/q;;+2/p-2


name: Zinc bis(octylphenolate)
cas: 84878-49-9
formula: C14H22O.1/2Zn
inchikey: DYPVJLXAFINGJI-UHFFFAOYSA-L
norman_susdat_id: NS00090202
smiles: [Zn+2].CCCCCCCCc1ccccc1[O-].CCCCCCCCc2ccccc2[O-]
inchi:
InChI=1/2C14H22O.Zn/c2*1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;/h2*8-9,11-12,15H,2-7,10H2,1H3;/q;;+2/p-2


name: Calcium bis(octylphenolate)
cas: 84878-50-2
formula: C14H22O.1/2Ca
inchikey: XCDBCJMMRGQLCR-UHFFFAOYSA-L
norman_susdat_id: NS00090657
smiles: [Ca+2].CCCCCCCCc1ccccc1[O-].CCCCCCCCc2ccccc2[O-]
inchi:
InChI=1/2C14H22O.Ca/c2*1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;/h2*8-9,11-12,15H,2-7,10H2,1H3;/q;;+2/p-2


name: Cadmium bis(octylphenolate)
cas: 84878-51-3
formula: C14H22O.1/2Cd
inchikey: SMPPDZASZJLOQJ-UHFFFAOYSA-L
norman_susdat_id: NS00090203
smiles: [Cd+2].CCCCCCCCc1ccccc1[O-].CCCCCCCCc2ccccc2[O-]
inchi:
InChI=1/2C14H22O.Cd/c2*1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15;/h2*8-9,11-12,15H,2-7,10H2,1H3;/q;;+2/p-2


name: Dicyclohexyldodecylphosphine
cas: 84878-59-1
dtxsid: DTXSID301005187
formula: C24H47P
inchikey: FBJIDSKLLCXYAV-UHFFFAOYSA-N
norman_susdat_id: NS00060303
pubchem_cid: 21666514
smiles: P(CCCCCCCCCCCC)(C1CCCCC1)C2CCCCC2
inchi:
InChI=1/C24H47P/c1-2-3-4-5-6-7-8-9-10-17-22-25(23-18-13-11-14-19-23)24-20-15-12-16-21-24/h23-24H,2-22H2,1H3


name: Cefpimizole
cas: 84880-03-5
chebiid: CHEBI:135868
chemspiderid: 61863
formula: C28H27N6O10S2
inchikey: LNZMRLHZGOBKAN-KAWPREARSA-N
norman_susdat_id: NS00011581
pubchem_cid: 11765031
inchi:
InChI=1S/C28H26N6O10S2/c35-23(18(16-4-2-1-3-5-16)31-24(36)19-20(27(38)39)30-14-29-19)32-21-25(37)34-22(28(40)41)17(13-45-26(21)34)12-33-9-6-15(7-10-33)8-11-46(42,43)44/h1-7,9-10,14,18,21,26H,8,11-13H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44)/t18-,21-,26-/m1/s1

smiles:
c1ccc(cc1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[n+]4ccc(cc4)CCS(=O)(=O)O)C(=O)[O-])NC(=O)c5c(nc[nH]5)C(=O)O


name: 6H-Dibenz[c,e][1,2]oxaphosphorin-6-propanoic acid, butyl ester, 6-oxide
cas: 848820-98-4
chemspiderid: 57530719
dtxsid: DTXSID80872803
formula: C19H21O4P1
inchikey: JBEHRBTVEGZLAF-UHFFFAOYSA-N
norman_susdat_id: NS00001794
pubchem_cid: 102209257
smiles: CCCCOC(=O)CCP1(=O)Oc2ccccc2-c2ccccc12
inchi:
InChI=1S/C19H21O4P/c1-2-3-13-22-19(20)12-14-24(21)18-11-7-5-9-16(18)15-8-4-6-10-17(15)23-24/h4-11H,2-3,12-14H2,1H3


name: Sapitinib
cas: 848942-61-0
chebiid: CHEBI:132986
dtxsid: DTXSID50233942
formula: C23H25ClFN5O3
inchikey: DFJSJLGUIXFDJP-UHFFFAOYSA-N
norman_susdat_id: NS00072084
pubchem_cid: 11488320
smiles: CNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1
inchi:
InChI=1S/C23H25ClFN5O3/c1-26-21(31)12-30-8-6-14(7-9-30)33-20-10-15-18(11-19(20)32-2)27-13-28-23(15)29-17-5-3-4-16(24)22(17)25/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,26,31)(H,27,28,29)


cas: 84896-41-3
formula: C70H144O6S2Sn3
inchikey: KSQSDWUVCROFKJ-UHFFFAOYSA-J
norman_susdat_id: NS00059031
pubchem_cid: NA
name:
5,23-diethyl-8,8,14,14,20,20-hexaoctyl-10,18-dioxo-7,9,19,21-tetraoxa-13,15-dithia-8,14,20-tristannaheptacosane

inchi:
InChI=1/2C8H17O.6C8H17.2C3H6O2S.3Sn/c2*1-3-5-6-8(4-2)7-9;6*1-3-5-7-8-6-4-2;2*4-3(5)1-2-6;;;/h2*8H,3-7H2,1-2H3;6*1,3-8H2,2H3;2*6H,1-2H2,(H,4,5);;;/q2*-1;;;;;;;;;3*+2/p-4/rC70H144O6S2Sn3/c1-11-21-29-35-41-47-59-79(60-48-42-36-30-22-12-2,73-65-67(19-9)53-27-17-7)75-69(71)55-57-77-81(63-51-45-39-33-25-15-5,64-52-46-40-34-26-16-6)78-58-56-70(72)76-80(61-49-43-37-31-23-13-3,62-50-44-38-32-24-14-4)74-66-68(20-10)54-28-18-8/h67-68H,11-66H2,1-10H3

smiles:
O=C(O[Sn](OCC(CC)CCCC)(CCCCCCCC)CCCCCCCC)CCS[Sn](SCCC(=O)O[Sn](OCC(CC)CCCC)(CCCCCCCC)CCCCCCCC)(CCCCCCCC)CCCCCCCC


name: Buphenine hydrochloride
cas: 849-55-8
chebiid: CHEBI:31925
formula: C19H25NO2.ClH
inchikey: CLJHABUMMDMAFA-UHFFFAOYSA-N
norman_susdat_id: NS00080086
smiles: Cl.CC(CCc1ccccc1)NC(C)C(O)c2ccc(O)cc2
inchi:
InChI=1/C19H25NO2.ClH/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17;/h3-7,10-15,19-22H,8-9H2,1-2H3;1H


name: Triethyl[3-(triethoxysilyl)propyl]ammonium chloride
cas: 84901-28-0
dtxsid: DTXSID901005197
formula: C15H36NO3Si
inchikey: QKWRITOXHWTBFJ-UHFFFAOYSA-M
norman_susdat_id: NS00059959
pubchem_cid: 3020210
smiles: [Cl-].O(CC)[Si](OCC)(OCC)CCC[N+](CC)(CC)CC
inchi:
InChI=1/C15H36NO3Si.ClH/c1-7-16(8-2,9-3)14-13-15-20(17-10-4,18-11-5)19-12-6;/h7-15H2,1-6H3;1H/q+1;/p-1


cas: 84903-78-6
chemspiderid: 21896655
dtxsid: DTXSID00518150
formula: C21H24N2O4S1
inchikey: ALISTFINEQANJP-UHFFFAOYSA-N
norman_susdat_id: NS00014618
pubchem_cid: 13100707
smiles: CN(CCN1c2ccccc2SC(C(C1=O)OC(=O)C)c1ccc(cc1)O)C
name:
5-[2-(Dimethylamino)ethyl]-2-(4-hydroxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate

inchi:
InChI=1S/C21H24N2O4S/c1-14(24)27-19-20(15-8-10-16(25)11-9-15)28-18-7-5-4-6-17(18)23(21(19)26)13-12-22(2)3/h4-11,19-20,25H,12-13H2,1-3H3


cas: 84912-12-9
formula: C16H12ClN5O7S.Na
inchikey: HBSUOVGJEQNENL-UHFFFAOYSA-M
norman_susdat_id: NS00089604
smiles: [Na+].[O-]S(=O)(=O)c3cc(N=NC2C(\C)=N/N(c1cc(Cl)ccc1)C2=O)c(O)c(c3)[N+]([O-])=O
name:
Sodium 3-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-5-nitrobenzenesulphonate

inchi:
InChI=1/C16H12ClN5O7S.Na/c1-8-14(16(24)21(20-8)10-4-2-3-9(17)5-10)19-18-12-6-11(30(27,28)29)7-13(15(12)23)22(25)26;/h2-7,14,23H,1H3,(H,27,28,29);/q;+1/p-1


name: 5-[(4-amino-5-ethoxy-o-tolyl)azo]-2-chlorobenzenesulphonic acid
cas: 84912-14-1
formula: C15H16ClN3O4S
inchikey: OJYHXEGJQSWREJ-UHFFFAOYSA-N
norman_susdat_id: NS00090077
smiles: O=S(O)(=O)c1cc(ccc1Cl)N=Nc2cc(OCC)c(N)cc2C
inchi:
InChI=1/C15H16ClN3O4S/c1-3-23-14-8-13(9(2)6-12(14)17)19-18-10-4-5-11(16)15(7-10)24(20,21)22/h4-8H,3,17H2,1-2H3,(H,20,21,22)


name: Sodium 5-[(4-amino-5-ethoxy-o-tolyl)azo]-2-chlorobenzenesulphonate
cas: 84912-15-2
formula: C15H16ClN3O4S
inchikey: KOPZIULFSPMUAX-UHFFFAOYSA-M
norman_susdat_id: NS00059032
pubchem_cid: 3020220
smiles: [Na+].O=S(=O)([O-])C1=CC(N=NC=2C=C(OCC)C(N)=CC2C)=CC=C1Cl
inchi:
InChI=1/C15H16ClN3O4S.Na/c1-3-23-14-8-13(9(2)6-12(14)17)19-18-10-4-5-11(16)15(7-10)24(20,21)22;/h4-8H,3,17H2,1-2H3,(H,20,21,22);/q;+1/p-1


name: 5-[[4-[(3-aminobenzoyl)amino]-5-methoxy-2-methylphenyl]azo]-3-sulphosalicylic acid
cas: 84912-16-3
formula: C22H20N4O8S
inchikey: BUQAUTCFQDXNMT-UHFFFAOYSA-N
norman_susdat_id: NS00089605
smiles: COc3cc(N=Nc1cc(C(O)=O)c(O)c(c1)S(O)(=O)=O)c(C)cc3NC(=O)c2cccc(N)c2
inchi:
InChI=1/C22H20N4O8S/c1-11-6-17(24-21(28)12-4-3-5-13(23)7-12)18(34-2)10-16(11)26-25-14-8-15(22(29)30)20(27)19(9-14)35(31,32)33/h3-10,27H,23H2,1-2H3,(H,24,28)(H,29,30)(H,31,32,33)


name: Sodium 5-[[4-[(3-aminobenzoyl)amino]-5-methoxy-o-tolyl]azo]-3-sulphosalicylate
cas: 84912-17-4
formula: C22H20N4O8S
inchikey: BWTWRBGMZFKIHY-UHFFFAOYSA-M
norman_susdat_id: NS00058515
pubchem_cid: 3020222
smiles: [Na+].O=C([O-])C1=CC(N=NC=2C=C(OC)C(=CC2C)NC(=O)C=3C=CC=C(N)C3)=CC(=C1O)S(=O)(=O)O
inchi:
InChI=1/C22H20N4O8S.Na/c1-11-6-17(24-21(28)12-4-3-5-13(23)7-12)18(34-2)10-16(11)26-25-14-8-15(22(29)30)20(27)19(9-14)35(31,32)33;/h3-10,27H,23H2,1-2H3,(H,24,28)(H,29,30)(H,31,32,33);/q;+1/p-1


name: 4-isopropyl-5,5-dimethyl-2-(1-phenylethyl)-1,3-dioxane
cas: 84912-19-6
dtxsid: DTXSID401005209
formula: C17H26O2
inchikey: CPWDBSWFAGSNKH-UHFFFAOYSA-N
norman_susdat_id: NS00059033
pubchem_cid: 97898
smiles: O1CC(C)(C)C(OC1C(C=2C=CC=CC2)C)C(C)C
inchi:
InChI=1/C17H26O2/c1-12(2)15-17(4,5)11-18-16(19-15)13(3)14-9-7-6-8-10-14/h6-10,12-13,15-16H,11H2,1-5H3


name: 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium hydrogen sulphate
cas: 84912-22-1
formula: C28H31N2O3.HO4S
inchikey: XGLVWIMHBIJOAD-UHFFFAOYSA-L
norman_susdat_id: NS00089606
smiles: CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C28H30N2O3.H2O4S/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;1-5(2,3)4/h9-18H,5-8H2,1-4H3;(H2,1,2,3,4)/p-1


cas: 84912-23-2
formula: C48H47N6O3
inchikey: JERNEVOCUSLKTO-UHFFFAOYSA-M
norman_susdat_id: NS00057955
pubchem_cid: NA
name:
9-(2-carboxylatophenyl)-3,6-bis[[2-ethyl-6-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]phenyl]amino]xanthylium

inchi:
InChI=1/C48H46N6O3/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/h9-20,23-26,53-54H,7-8,21-22H2,1-6H3,(H2-,49,50,51,52,55,56)

smiles:
O=C([O-])C=1C=CC=CC1C=2C=3C=CC(=CC3[O+]=C4C=C(C=CC42)NC=5C(=CC(=CC5CC)CC=6NC=NC6C)C)NC=7C(=CC(=CC7CC)CC=8N=CNC8C)C


name: Sodium 2-[(1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo]naphthalene-1-sulphonate
cas: 84914-91-0
formula: C18H17N3O5S
inchikey: XHRNRARJDZOGPN-UHFFFAOYSA-M
norman_susdat_id: NS00058355
pubchem_cid: 3020226
smiles: [Na+].O=C1C=C(C(N=NC=2C=CC=3C=CC=CC3C2S(=O)(=O)[O-])=C(O)N1CC)C
inchi:
InChI=1/C18H17N3O5S.Na/c1-3-21-15(22)10-11(2)16(18(21)23)20-19-14-9-8-12-6-4-5-7-13(12)17(14)27(24,25)26;/h4-10,23H,3H2,1-2H3,(H,24,25,26);/q;+1/p-1


name: N-(2,6-Dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
cas: 849199-67-3
dtxsid: DTXSID20658946
formula: C20H18N4
inchikey: KKYYLKPGILUPOA-UHFFFAOYSA-N
norman_susdat_id: NS00071832
pubchem_cid: 44422489
smiles: Cc1cccc(C)c1Nc1ncc(-c2ccccc2)n2cncc12
inchi:
InChI=1S/C20H18N4/c1-14-7-6-8-15(2)19(14)23-20-18-11-21-13-24(18)17(12-22-20)16-9-4-3-5-10-16/h3-13H,1-2H3,(H,22,23)


name: Foretinib
cas: 849217-64-7
chebiid: CHEBI:91418
dtxsid: DTXSID20918193
formula: C34H34F2N4O6
inchikey: CXQHYVUVSFXTMY-UHFFFAOYSA-N
norman_susdat_id: NS00072564
pubchem_cid: 42642645
smiles: COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1
inchi:
InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)


name: Cabozantinib
cas: 849217-68-1
chebiid: CHEBI:72317
chemspiderid: 25948202
dtxsid: DTXSID10233968
formula: C28H24F1N3O5
inchikey: ONIQOQHATWINJY-UHFFFAOYSA-N
norman_susdat_id: NS00020240
pubchem_cid: 25102847
smiles: COC1=CC2=NC=CC(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC4=CC=C(F)C=C4)C=C3)=C2C=C1OC
inchi:
InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)


name: Disodium 2-(2,3-dihydro-1,3-dioxosulphonato-1H-inden-2-yl)quinolinesulphonate
cas: 84924-83-4
dtxsid: DTXSID401005223
formula: C18H13NO8S2
inchikey: RQTXRJBUOSWWPD-UHFFFAOYSA-L
norman_susdat_id: NS00059413
pubchem_cid: 21149612
smiles: [Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C1(C3(C=CC=4C=CC=CC4N3)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C18H13NO8S2.2Na/c20-15-12-6-2-3-7-13(12)16(21)18(15,29(25,26)27)17(28(22,23)24)10-9-11-5-1-4-8-14(11)19-17;;/h1-10,19H,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2


name: 2-[2-(oleoyloxy)ethyl]-1,4-butanediyl dioleate
cas: 84930-05-2
formula: C60H110O6
inchikey: JWKVQGPHFYAPAK-IUPFWZBJSA-N
norman_susdat_id: NS00059487
pubchem_cid: 12767863
smiles: O=C(OCCC(COC(=O)CCCCCCCC=CCCCCCCCC)CCOC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C60H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-58(61)64-54-52-57(56-66-60(63)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-55-65-59(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,57H,4-24,31-56H2,1-3H3


name: Methyl 2-[(3-phenylpropylidene)amino]benzoate
cas: 84930-08-5
formula: C17H17NO2
inchikey: ICANWIXAAGSKBR-UHFFFAOYSA-N
norman_susdat_id: NS00058521
pubchem_cid: 3020230
smiles: O=C(OC)C=1C=CC=CC1N=CCCC=2C=CC=CC2
inchi:
InChI=1/C17H17NO2/c1-20-17(19)15-11-5-6-12-16(15)18-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-13H,7,10H2,1H3


name: N-ethyl-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine
cas: 84946-01-0
dtxsid: DTXSID101005236
formula: C11H22N6
inchikey: JXSQHULMJXTBLU-UHFFFAOYSA-N
norman_susdat_id: NS00060411
pubchem_cid: 7589309
smiles: N=1C(=NC(=NC1NC(C)C)NC(C)C)NCC
inchi:
InChI=1/C11H22N6/c1-6-12-9-15-10(13-7(2)3)17-11(16-9)14-8(4)5/h7-8H,6H2,1-5H3,(H3,12,13,14,15,16,17)


cas: 84946-02-1
formula: C3H9N9.C3H3N3O3
inchikey: XCWVTLZSOWPVGC-UHFFFAOYSA-N
norman_susdat_id: NS00090949
smiles: NN=C1NC(=N\N)/NC(=NN)N1.O=C1NC(=O)NC(=O)N1
name:
1,3,5-triazine-2,4,6(1H,3H,5H)-trione compound with 1,3,5-triazine-2,4,6(1H,3H,5H)-trione trihydrazone (1:1)

inchi:
InChI=1/C3H9N9.C3H3N3O3/c4-10-1-7-2(11-5)9-3(8-1)12-6;7-1-4-2(8)6-3(9)5-1/h4-6H2,(H3,7,8,9,10,11,12);(H3,4,5,6,7,8,9)


name: Stearic acid, compound with guanidine (1:1)
cas: 84946-03-2
dtxsid: DTXSID30233980
formula: C18H36O2.CH5N3
inchikey: NDRMWPVNHDJUCA-UHFFFAOYSA-N
norman_susdat_id: NS00084289
smiles: CCCCCCCCCCCCCCCCCC(=O)O.NC(=N)N
inchi:
InChI=1/C18H36O2.CH5N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2-1(3)4/h2-17H2,1H3,(H,19,20);(H5,2,3,4)


name: (8a,9R)-10,11-dihydro-6'-methoxy-5'-nitrocinchonan-9-ol
cas: 84946-09-8
dtxsid: DTXSID201005239
formula: C20H26N3O4
inchikey: LDLGHWSMRGQDQW-SFZJTNDWSA-N
norman_susdat_id: NS00062044
pubchem_cid: NA
smiles: O=[N+]([O-])C1=C(OC)C=CC=2N=CC=C(C21)C(O)C3N4CCC(C3)C(C4)CC
inchi:
InChI=1/C20H25N3O4/c1-3-12-11-22-9-7-13(12)10-16(22)20(24)14-6-8-21-15-4-5-17(27-2)19(18(14)15)23(25)26/h4-6,8,12-13,16,20,24H,3,7,9-11H2,1-2H3


name: Sodium methyl 1,2,5,6-tetrahydro-1-(2-(4-methoxyphenyl)ethyl)-4-oxidonicotinate
cas: 84946-11-2
chemspiderid: 4675553
dtxsid: DTXSID10233983
formula: C16H21N1O4
inchikey: CPZCCTFNMNIGLI-UHFFFAOYSA-M
norman_susdat_id: NS00038704
pubchem_cid: 23678225
smiles: [Na+].COC(=O)[C-]1CN(CCc2ccc(OC)cc2)CCC1=O
inchi:
InChI=1S/C16H21NO4/c1-20-13-5-3-12(4-6-13)7-9-17-10-8-15(18)14(11-17)16(19)21-2/h3-6,14H,7-11H2,1-2H3/t14-/m1/s1


name: Ethyl (2-((2-chloroethyl)aminocarbonyl)phenyl)carbamate
cas: 84946-12-3
chemspiderid: 2287189
dtxsid: DTXSID70233984
formula: C12H15Cl1N2O3
inchikey: WTMZMXJPRLKVED-UHFFFAOYSA-N
norman_susdat_id: NS00038705
pubchem_cid: 3020236
smiles: CCOC(=O)Nc1c(cccc1)C(=O)NCCCl
inchi:
InChI=1S/C12H15ClN2O3/c1-2-18-12(17)15-10-6-4-3-5-9(10)11(16)14-8-7-13/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)


name: Ethyl (2-((2-bromoethyl)aminocarbonyl)phenyl)carbamate
cas: 84946-13-4
chemspiderid: 2287190
dtxsid: DTXSID30233985
formula: C12H15Br1N2O3
inchikey: XDURMDIAKBDTQF-UHFFFAOYSA-N
norman_susdat_id: NS00038706
pubchem_cid: 3020237
smiles: CCOC(=O)Nc1c(cccc1)C(=O)NCCBr
inchi:
InChI=1S/C12H15BrN2O3/c1-2-18-12(17)15-10-6-4-3-5-9(10)11(16)14-8-7-13/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)


name: 4-amino-5-chloro-2-methoxy-N-(3-methoxy-4-piperidyl)benzamide
cas: 84946-16-7
formula: C14H20ClN3O3
inchikey: OMLDMGPCWMBPAN-UHFFFAOYSA-N
norman_susdat_id: NS00060412
pubchem_cid: 3019427
smiles: O=C(NC1CCNCC1OC)C2=CC(Cl)=C(N)C=C2OC
inchi:
InChI=1/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)


name: Cevipabulin
cas: 849550-69-2
dtxsid: DTXSID00233997
formula: C18H18ClF5N6O
inchikey: ZUZPCOQWSYNWLU-VIFPVBQESA-N
norman_susdat_id: NS00071026
pubchem_cid: 11488110
smiles: CNCCCOc1cc(F)c(-c2c(Cl)nc3ncnn3c2N[C@@H](C)C(F)(F)F)c(F)c1
inchi:
InChI=1S/C18H18ClF5N6O/c1-9(18(22,23)24)28-16-14(15(19)29-17-26-8-27-30(16)17)13-11(20)6-10(7-12(13)21)31-5-3-4-25-2/h6-9,25,28H,3-5H2,1-2H3/t9-/m0/s1


name: Cefpirome
cas: 84957-29-9
chemspiderid: 10608667
dtxsid: DTXSID2048244
formula: C22H23N6O5S2
inchikey: DKOQGJHPHLTOJR-UHFFFAOYSA-N
norman_susdat_id: NS00010181
pubchem_cid: 4487900
smiles: CON=C(C(=O)NC1C2SCC(C[n+]3cccc4CCCc34)=C(N2C1=O)C([O-])=O)c1csc(N)n1
inchi:
InChI=1S/C22H22N6O5S2/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32)


name: Cefquinome
cas: 84957-30-2
chemspiderid: 16736863
dtxsid: DTXSID00894103
formula: C23H25N6O5S2
inchikey: YWKJNRNSJKEFMK-PQFQYKRASA-N
norman_susdat_id: NS00000105
pubchem_cid: 5464355
smiles: CO/N=C(/C1=CSC(=N1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCCC5)C(=O)[O-]
inchi:
InChI=1S/C23H24N6O5S2/c1-34-27-16(14-11-36-23(24)25-14)19(30)26-17-20(31)29-18(22(32)33)13(10-35-21(17)29)9-28-8-4-6-12-5-2-3-7-15(12)28/h4,6,8,11,17,21H,2-3,5,7,9-10H2,1H3,(H3-,24,25,26,30,32,33)/b27-16-/t17-,21-/m1/s1


cas: 849608-59-9
inchikey: NAFZNOIBTMNQPS-UHFFFAOYSA-J
norman_susdat_id: NS00076485
name:
Tetra potassium 5,5'-[ethane-1,2-diylbis[thio-1,3,4-thiadiazole-5,2-diyldiazene-2,1-diyl(5-amino-3-tert-buyl-1H-pyrazole-4,1-diyl)]}diisophthalate

inchi:
InChI=1S/C36H36N14O8S4/c1-35(2,3)23-21(25(37)49(47-23)19-11-15(27(51)52)9-16(12-19)28(53)54)39-41-31-43-45-33(61-31)59-7-8-60-34-46-44-32(62-34)42-40-22-24(36(4,5)6)48-50(26(22)38)20-13-17(29(55)56)10-18(14-20)30(57)58/h9-14H,7-8,37-38H2,1-6H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)/p-4

smiles:
C(Sc1nnc(s1)N=Nc1c(C(C)(C)C)nn(c1N)c1cc(C(=O)[O-])cc(C(=O)[O-])c1)CSc1nnc(s1)N=Nc1c(C(C)(C)C)nn(c1N)c1cc(C(=O)[O-])cc(C(=O)[O-])c1


name: L-glutamic acid, compound with 5-oxo-L-proline (1:1)
cas: 84962-33-4
formula: C5H9NO4.C5H7NO3
inchikey: PVBDIBIXFBNAET-RUCXOUQFSA-N
norman_susdat_id: NS00090585
smiles: N[C@@H](CCC(=O)O)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1/C5H9NO4.C5H7NO3/c6-3(5(9)10)1-2-4(7)8;7-4-2-1-3(6-4)5(8)9/h3H,1-2,6H2,(H,7,8)(H,9,10);3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-L-proline, compound with DL-alanine (1:1)
cas: 84962-38-9
formula: C5H7NO3.C3H7NO2
inchikey: BCTQVLPHKMWFQL-BHFSHLQUSA-N
norman_susdat_id: NS00090623
smiles: C[C@H](N)C(=O)O.OC(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1/C5H7NO3.C3H7NO2/c7-4-2-1-3(6-4)5(8)9;1-2(4)3(5)6/h3H,1-2H2,(H,6,7)(H,8,9);2H,4H2,1H3,(H,5,6)


name: Tin tetrakis(5-oxo-DL-prolinate)
cas: 84962-42-5
formula: C5H7NO3.1/4Sn
inchi: InChI=1/4C5H7NO3.Sn/c4*7-4-2-1-3(6-4)5(8)9;/h4*3H,1-2H2,(H,6,7)(H,8,9);/q;;;;+4/p-4
inchikey: IQCMNTVCGMNTLL-GWJKCLFXSA-J
norman_susdat_id: NS00091060
smiles:
[Sn+4].[O-]C(=O)[C@@H]1CCC(=O)N1.[O-]C(=O)[C@@H]2CCC(=O)N2.[O-]C(=O)[C@@H]3CCC(=O)N3.[O-]C(=O)[C@@H]4CCC(=O)N4


name: (5a)-4,5-epoxy-14-hydroxy-3-methoxy-17-(2-propynyl)morphinan-6-one
cas: 84962-45-8
dtxsid: DTXSID501005252
formula: C20H21NO4
inchikey: CJIBNJHPNWBQCT-XFWGSAIBSA-N
norman_susdat_id: NS00062282
pubchem_cid: 5492746
smiles: O=C1CCC2(O)C3N(CC#C)CCC42C5=C(OC14)C(OC)=CC=C5C3
inchi:
InChI=1/C20H21NO4/c1-3-9-21-10-8-19-16-12-4-5-14(24-2)17(16)25-18(19)13(22)6-7-20(19,23)15(21)11-12/h1,4-5,15,18,23H,6-11H2,2H3


name: N,N,N',N',N'',N''-hexakis[[(2-octyldodecyl)oxy]methyl]-1,3,5-triazine-2,4,6-triamine
cas: 84962-46-9
formula: C129H258N6O6
inchikey: UKZKHPHQNFOLOG-UHFFFAOYSA-N
norman_susdat_id: NS00061226
pubchem_cid: 11970882
inchi:
InChI=1/C129H258N6O6/c1-13-25-37-49-61-67-79-91-103-121(97-85-73-55-43-31-19-7)109-136-115-133(116-137-110-122(98-86-74-56-44-32-20-8)104-92-80-68-62-50-38-26-14-2)127-130-128(134(117-138-111-123(99-87-75-57-45-33-21-9)105-93-81-69-63-51-39-27-15-3)118-139-112-124(100-88-76-58-46-34-22-10)106-94-82-70-64-52-40-28-16-4)132-129(131-127)135(119-140-113-125(101-89-77-59-47-35-23-11)107-95-83-71-65-53-41-29-17-5)120-141-114-126(102-90-78-60-48-36-24-12)108-96-84-72-66-54-42-30-18-6/h121-126H,13-120H2,1-12H3

smiles:
N=1C(=NC(=NC1N(COCC(CCCCCCCC)CCCCCCCCCC)COCC(CCCCCCCC)CCCCCCCCCC)N(COCC(CCCCCCCC)CCCCCCCCCC)COCC(CCCCCCCC)CCCCCCCCCC)N(COCC(CCCCCCCC)CCCCCCCCCC)COCC(CCCCCCCC)CCCCCCCCCC


name: Sodium 2-[[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridyl]azo]-5-nitrobenzenesulphonate
cas: 84962-47-0
formula: C21H28N7O7S
inchikey: UPXRUNLIBXFYIL-UHFFFAOYSA-M
norman_susdat_id: NS00061227
pubchem_cid: NA
smiles: [Na+].N#CC1=C(N=C(NCCCOC)C(N=NC2=CC=C(C=C2S(=O)(=O)[O-])[N+](=O)[O-])=C1C)NCCCOC
inchi:
InChI=1/C21H27N7O7S.Na/c1-14-16(13-22)20(23-8-4-10-34-2)25-21(24-9-5-11-35-3)19(14)27-26-17-7-6-15(28(29)30)12-18(17)36(31,32)33;/h6-7,12H,4-5,8-11H2,1-3H3,(H2,23,24,25)(H,31,32,33);/q;+1/p-1


name: Sodium 4-[[4-amino-2-(diethylamino)-6-methyl-5-pyrimidinyl]azo]-2,5-dichlorobenzenesulphonate
cas: 84962-51-6
formula: C15H18Cl2N6O3S
inchikey: DNMMUVLDIQPAEQ-UHFFFAOYSA-M
norman_susdat_id: NS00061055
pubchem_cid: 3020249
smiles: [Na+].O=S(=O)([O-])C=1C=C(Cl)C(N=NC=2C(=NC(=NC2C)N(CC)CC)N)=CC1Cl
inchi:
InChI=1/C15H18Cl2N6O3S.Na/c1-4-23(5-2)15-19-8(3)13(14(18)20-15)22-21-11-6-10(17)12(7-9(11)16)27(24,25)26;/h6-7H,4-5H2,1-3H3,(H2,18,19,20)(H,24,25,26);/q;+1/p-1


name: Ethyl N-(1-(4-fluorophenyl)ethyl)-N-formyl-3-oxoalaninate
cas: 84962-54-9
chemspiderid: 21164452
dtxsid: DTXSID00234000
formula: C14H16F1N1O4
inchikey: BFUFOHMVMTXWGL-HQVZTVAUSA-N
norman_susdat_id: NS00038712
pubchem_cid: 56842820
smiles: CCOC(=O)C(C=O)N(C=O)C(C)c1ccc(F)cc1
inchi:
InChI=1S/C14H16FNO4/c1-3-20-14(19)13(8-17)16(9-18)10(2)11-4-6-12(15)7-5-11/h4-10,13H,3H2,1-2H3/t10-,13+/m1/s1


name: Methyl ((2-((2-bromoethyl)amino)carbonyl)phenyl)carbamate
cas: 84962-73-2
chemspiderid: 2287205
dtxsid: DTXSID80234003
formula: C11H13Br1N2O3
inchikey: AHIKPEJVPTVDJE-UHFFFAOYSA-N
norman_susdat_id: NS00038714
pubchem_cid: 3020256
smiles: COC(=O)Nc1c(cccc1)C(=O)NCCBr
inchi:
InChI=1S/C11H13BrN2O3/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)


cas: 84962-80-1
formula: C27H33N2.C4H5O4
inchikey: ZXJHKCSMKLDIKG-UHFFFAOYSA-L
norman_susdat_id: NS00090404
smiles: CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.[O-]C(=O)CCC(=O)[O-]
name:
[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydrogen succinate

inchi:
InChI=1/C27H33N2.C4H6O4/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;5-3(6)1-2-4(7)8/h9-21H,5-8H2,1-4H3;1-2H2,(H,5,6)(H,7,8)/q+1;/p-2


cas: 84962-81-2
formula: C27H33N2.C6H9O4
inchikey: KNHQGQWCVYRHRL-UHFFFAOYSA-L
norman_susdat_id: NS00090654
smiles: CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.[O-]C(=O)CCCCC(=O)[O-]
name:
[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]diethylammonium hydrogen adipate

inchi:
InChI=1/C27H33N2.C6H10O4/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;7-5(8)3-1-2-4-6(9)10/h9-21H,5-8H2,1-4H3;1-4H2,(H,7,8)(H,9,10)/q+1;/p-2


name: Diethyl[4-[[4-(diethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]ammonium sulphamate
cas: 84962-83-4
formula: C27H33N2.H2NO3S
inchikey: CVXPAANEXGIEQV-UHFFFAOYSA-M
norman_susdat_id: NS00091096
smiles: CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccccc3.NS(=O)(=O)[O-]
inchi:
InChI=1/C27H33N2.H3NO3S/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;1-5(2,3)4/h9-21H,5-8H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1


cas: 84962-85-6
formula: C33H32N3.C3H5O3
inchikey: VLBFXPPQCJCJIY-UHFFFAOYSA-N
norman_susdat_id: NS00090655
smiles: CC(O)C(=O)[O-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35
name:
[4-[a-(4-anilino-1-naphthyl)-4-(dimethylamino)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium lactate

inchi:
InChI=1/C33H31N3.C3H6O3/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(4)3(5)6/h5-23H,1-4H3;2,4H,1H3,(H,5,6)


cas: 84962-86-7
chemspiderid: 21164460
dtxsid: DTXSID80234008
formula: C33H34N4
inchikey: UIKGQAYBECALQB-UHFFFAOYSA-N
norman_susdat_id: NS00038717
pubchem_cid: 56842948
name:
(4-((4-Anilino-1-naphthyl)(4-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium hydrogen succinate

inchi:
InChI=1S/C33H34N4/c1-37(2)27-14-12-24(13-15-27)32(25-18-20-33(22-34,23-35)21-19-25)30-16-17-31(29-11-7-6-10-28(29)30)36-26-8-4-3-5-9-26/h3-21,36H,22-23,34-35H2,1-2H3

smiles:
OC(=O)CCC(=O)[O-].OC(=O)CCC(=O)[O-].CN(C)c1ccc(cc1)C(=C1C=CC(C[NH3+])(C[NH3+])C=C1)c1ccc(Nc2ccccc2)c2ccccc12


cas: 84962-87-8
formula: C33H32N3.C5H7O4
inchikey: ZXOAAZZDTUUZLH-UHFFFAOYSA-M
norman_susdat_id: NS00091098
smiles: CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35.[O-]C(=O)CCCC(=O)[O-]
name:
[4-[[4-anilino-1-naphthyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium hydrogen glutarate

inchi:
InChI=1/C33H31N3.C5H8O4/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;6-4(7)2-1-3-5(8)9/h5-23H,1-4H3;1-3H2,(H,6,7)(H,8,9)/p-1


cas: 84962-90-3
formula: C33H32N3.H2NO3S
inchikey: UYQXJFQMPQJAGT-UHFFFAOYSA-N
norman_susdat_id: NS00090578
smiles: CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35.NS(=O)(=O)[O-]
name:
[4-[[4-anilino-1-naphthyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium sulphamate

inchi:
InChI=1/C33H31N3.H3NO3S/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;1-5(2,3)4/h5-23H,1-4H3;(H3,1,2,3,4)


cas: 84962-91-4
formula: C33H32N3.C7H5O3
inchikey: GUABMAUWMBUWQH-UHFFFAOYSA-N
norman_susdat_id: NS00090579
smiles: CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35.Oc6ccccc6C(=O)[O-]
name:
[4-[a-(4-anilino-1-naphthyl)-4-(dimethylamino)benzylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium salicylate

inchi:
InChI=1/C33H31N3.C7H6O3/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;8-6-4-2-1-3-5(6)7(9)10/h5-23H,1-4H3;1-4,8H,(H,9,10)


name: N,N',N''-[phosphoryltris(methylene)]tris[2-chloroacetamide]
cas: 84962-93-6
formula: C9H15Cl3N3O4P
inchikey: KPZBQRVHTFBJJV-UHFFFAOYSA-N
norman_susdat_id: NS00060672
pubchem_cid: 92009724
smiles: O=C(NCP(=O)(CNC(=O)CCl)CNC(=O)CCl)CCl
inchi:
InChI=1/C9H15Cl3N3O4P/c10-1-7(16)13-4-20(19,5-14-8(17)2-11)6-15-9(18)3-12/h1-6H2,(H,13,16)(H,14,17)(H,15,18)


name: Dimethyl 3,3'-(1,3-dimethoxy-1,3-dimethyl-1,3-disiloxanediyl)bis[2-methylpropionate]
cas: 84962-96-9
dtxsid: DTXSID901005266
formula: C14H30O7Si2
inchikey: QFJMYGJCVAZGRH-UHFFFAOYSA-N
norman_susdat_id: NS00061355
pubchem_cid: 56842998
smiles: O=C(OC)C(C)C[Si](OC)(O[Si](OC)(C)CC(C(=O)OC)C)C
inchi:
InChI=1/C14H30O7Si2/c1-11(13(15)17-3)9-22(7,19-5)21-23(8,20-6)10-12(2)14(16)18-4/h11-12H,9-10H2,1-8H3


cas: 84962-97-0
formula: C16H42N4O3Si2
inchikey: RCLQBSUUGYLAEP-UHFFFAOYSA-N
norman_susdat_id: NS00062384
pubchem_cid: 56842999
smiles: O(C)[Si](O[Si](OC)(C)CC(C)CNCCN)(C)CC(C)CNCCN
name:
N,N''-[(1,3-dimethoxy-1,3-dimethyldisiloxane-1,3-diyl)bis(2-methylpropane-3,1-diyl)]bis(ethylenediamine)

inchi:
InChI=1/C16H42N4O3Si2/c1-15(11-19-9-7-17)13-24(5,21-3)23-25(6,22-4)14-16(2)12-20-10-8-18/h15-16,19-20H,7-14,17-18H2,1-6H3


name: N,N'-bis[2-[[3-(trimethoxysilyl)propyl]amino]ethyl]ethylenediamine dihydrochloride
cas: 84962-99-2
dtxsid: DTXSID30234013
formula: C18H46N4O6Si2
inchikey: OUKSOODINPMJOZ-UHFFFAOYSA-N
norman_susdat_id: NS00061156
pubchem_cid: 56843000
smiles: Cl.Cl.O(C)[Si](OC)(OC)CCCNCCNCCNCCNCCC[Si](OC)(OC)OC
inchi:
InChI=1/C18H46N4O6Si2.2ClH/c1-23-29(24-2,25-3)17-7-9-19-11-13-21-15-16-22-14-12-20-10-8-18-30(26-4,27-5)28-6;;/h19-22H,7-18H2,1-6H3;2*1H


name: N,N'-bis[3-(dimethoxymethylsilyl)-2-methylpropyl]ethylenediamine
cas: 84963-00-8
dtxsid: DTXSID601005267
formula: C16H40N2O4Si2
inchikey: JLMMYHBYCKHJGX-UHFFFAOYSA-N
norman_susdat_id: NS00061356
pubchem_cid: 20836230
smiles: O(C)[Si](OC)(C)CC(C)CNCCNCC(C)C[Si](OC)(OC)C
inchi:
InChI=1/C16H40N2O4Si2/c1-15(13-23(7,19-3)20-4)11-17-9-10-18-12-16(2)14-24(8,21-5)22-6/h15-18H,9-14H2,1-8H3


name: (S)-2,3-Dihydro-6-methoxy-2-phenyl-4-benzopyrone
cas: 84963-03-1
chemspiderid: 600281
dtxsid: DTXSID10234016
formula: C16H14O3
inchikey: YURQMHCZHLMHIB-INIZCTEOSA-N
norman_susdat_id: NS00038718
pubchem_cid: 688884
smiles: COc1cc2c(OC(CC2=O)c2ccccc2)cc1
inchi:
InChI=1S/C16H14O3/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-9,16H,10H2,1H3/t16-/m0/s1


name: 5-((((4-Sulphophenyl)amino)carbonyl)amino)anthranilic acid
cas: 84963-04-2
chemspiderid: 2287209
dtxsid: DTXSID70234017
formula: C14H13N3O6S1
inchikey: AYJSFXBARFQKLV-UHFFFAOYSA-N
norman_susdat_id: NS00038719
pubchem_cid: 3020263
smiles: Nc1c(cc(NC(=O)Nc2ccc(cc2)S(=O)(=O)O)cc1)C(=O)O
inchi:
InChI=1S/C14H13N3O6S/c15-12-6-3-9(7-11(12)13(18)19)17-14(20)16-8-1-4-10(5-2-8)24(21,22)23/h1-7H,15H2,(H,18,19)(H2,16,17,20)(H,21,22,23)


name: 4-(((3-Aminophenoxy)acetyl)amino)-5-hydroxynaphthalene-1,7-disulphonic acid
cas: 84963-05-3
chemspiderid: 2287210
dtxsid: DTXSID30234018
formula: C18H16N2O9S2
inchikey: RIJWTBZRICUKGS-UHFFFAOYSA-N
norman_susdat_id: NS00038720
pubchem_cid: 3020264
smiles: Nc1cccc(OCC(=O)Nc2ccc(c3c2c(O)cc(c3)S(=O)(=O)O)S(=O)(=O)O)c1
inchi:
InChI=1S/C18H16N2O9S2/c19-10-2-1-3-11(6-10)29-9-17(22)20-14-4-5-16(31(26,27)28)13-7-12(30(23,24)25)8-15(21)18(13)14/h1-8,21H,9,19H2,(H,20,22)(H,23,24,25)(H,26,27,28)


name: Isopropylidenedi-p-phenylene bis(2-nitrobenzenesulphonate)
cas: 84963-06-4
chemspiderid: 14396234
dtxsid: DTXSID90234019
formula: C27H22N2O10S2
inchikey: DZANUCWHWPTNPR-UHFFFAOYSA-N
norman_susdat_id: NS00038721
pubchem_cid: 19756659
smiles: CC(C)(c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
inchi:
InChI=1S/C27H22N2O10S2/c1-27(2,19-11-15-21(16-12-19)38-40(34,35)25-9-5-3-7-23(25)28(30)31)20-13-17-22(18-14-20)39-41(36,37)26-10-6-4-8-24(26)29(32)33/h3-18H,1-2H3


name: N,N'-(3,3'-Dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(2-chloroacetamide)
cas: 84963-09-7
chemspiderid: 31150021
dtxsid: DTXSID00234020
formula: C16H14Cl2N2O4
inchikey: PUDPEBQWWPNOAM-UHFFFAOYSA-N
norman_susdat_id: NS00038722
pubchem_cid: 56843052
smiles: Oc1c(NC(=O)CCl)ccc(c1)c1cc(O)c(NC(=O)CCl)cc1
inchi:
InChI=1S/C16H14Cl2N2O4/c17-7-15(23)19-11-3-1-9(5-13(11)21)10-2-4-12(14(22)6-10)20-16(24)8-18/h1-6,21-22H,7-8H2,(H,19,23)(H,20,24)


cas: 84963-11-1
formula: C29H23N9O8S
inchikey: CLGCCWRIRMVLNM-UHFFFAOYSA-N
norman_susdat_id: NS00061371
pubchem_cid: 3020265
smiles: O=C(NC1=CC=C(N=NC2C(=O)NN=C2C)C=C1)C3=CC=C(N=NC=4C=C(N=NC5=CC(=CC=C5O)S(=O)(=O)O)C(O)=CC4O)C=C3
name:
3-[[5-[[4-[[[4-[(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo]phenyl]amino]carbonyl]phenyl]azo]-2,4-dihydroxyphenyl]azo]-4-hydroxybenzenesulphonic acid

inchi:
InChI=1/C29H23N9O8S/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)


cas: 84963-13-3
formula: C34H29N11O6
inchikey: MKBSTXWFJZHRPL-UHFFFAOYSA-N
norman_susdat_id: NS00061372
pubchem_cid: 3020266
name:
2-[[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-[[2-[[1-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxybenzoyl]amino]benzoic acid

inchi:
InChI=1/C34H29N11O6/c1-17-29(32(48)44(42-17)22-8-3-19(35)4-9-22)40-38-27-14-7-21(15-26(27)34(50)51)37-31(47)25-13-12-24(46)16-28(25)39-41-30-18(2)43-45(33(30)49)23-10-5-20(36)6-11-23/h3-16,29-30,46H,35-36H2,1-2H3,(H,37,47)(H,50,51)

smiles:
O=C(O)C1=CC(=CC=C1N=NC2C(=O)N(N=C2C)C3=CC=C(N)C=C3)NC(=O)C4=CC=C(O)C=C4N=NC5C(=O)N(N=C5C)C6=CC=C(N)C=C6


cas: 84963-15-5
formula: C42H30N10O16S2
inchikey: OZZMOSWNWQDAOA-UHFFFAOYSA-N
norman_susdat_id: NS00090607
name:
2-[[2-amino-6-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]-7-sulpho-1-naphthyl]azo]-2,5-dimethoxyphenyl]azo]-5-hydroxy-7-sulpho-1-naphthyl]azo]-5-nitrobenzoic acid

inchi:
InChI=1/C42H30N10O16S2/c1-67-35-18-33(49-51-39-37(70(64,65)66)16-25-23(40(39)54)7-8-28(43)38(25)50-47-31-9-4-20(52(59)60)14-26(31)41(55)56)36(68-2)17-32(35)48-46-30-11-10-29(22-6-5-21(15-24(22)30)69(61,62)63)45-44-19-3-12-34(53)27(13-19)42(57)58/h3-18,53-54H,43H2,1-2H3,(H,55,56)(H,57,58)(H,61,62,63)(H,64,65,66)

smiles:
COc7cc(N=Nc3ccc(N=Nc1cc(C(O)=O)c(O)cc1)c2ccc(cc23)S(O)(=O)=O)c(cc7N=Nc6c(cc5c(N=Nc4ccc(cc4C(O)=O)[N+]([O-])=O)c(N)ccc5c6O)S(O)(=O)=O)OC


cas: 84963-16-6
formula: C42H30N10O16S2.xNa
inchikey: IEQCYSWMPQNZHR-UHFFFAOYSA-M
norman_susdat_id: NS00090668
name:
Sodium 2-[[2-amino-6-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]-7-sulpho-1-naphthyl]azo]-2,5-dimethoxyphenyl]azo]-5-hydroxy-7-sulpho-1-naphthyl]azo]-5-nitrobenzoate

inchi:
InChI=1/C42H30N10O16S2.Na/c1-67-35-18-33(49-51-39-37(70(64,65)66)16-25-23(40(39)54)7-8-28(43)38(25)50-47-31-9-4-20(52(59)60)14-26(31)41(55)56)36(68-2)17-32(35)48-46-30-11-10-29(22-6-5-21(15-24(22)30)69(61,62)63)45-44-19-3-12-34(53)27(13-19)42(57)58;/h3-18,53-54H,43H2,1-2H3,(H,55,56)(H,57,58)(H,61,62,63)(H,64,65,66);/q;+1/p-1

smiles:
[Na+].COc7cc(N=Nc3ccc(N=Nc1cc(C(O)=O)c(O)cc1)c2ccc(cc23)S(O)(=O)=O)c(cc7N=Nc6c(cc5c(N=Nc4ccc(cc4C([O-])=O)[N+]([O-])=O)c(N)ccc5c6O)S(O)(=O)=O)OC


