CAS RN: 7691-71-6
CAS Name: 3-[(2Z)-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]-1-propanesulfonate
OPENEYE Name: 3-[(2Z)-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate
IUPAC Name: 3-[(2Z)-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate
SYSTEMATIC NAME: 3-[(2Z)-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate
MOLECULAR FORMULA: C25H28N2O3S3
MOLECULAR WEIGHT: 500.69642
SMILES: CC[N+]1=C(SC2=CC=CC=C21)/C=C(\C)/C=C\3/N(C4=C(S3)C=C(C(=C4)C)C)CCCS(=O)(=O)[O-]
Structure:
CAS RN: 7423-31-6
CAS Name: (2Z)-1-ethyl-2-[(Z)-3-(1-ethyl-2-benzo[e][1,3]benzothiazol-1-iumyl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole bromide
OPENEYE Name: (2Z)-1-ethyl-2-[(Z)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methyl-prop-2-enylidene]benzo[e][1,3]benzothiazole bromide
IUPAC Name: (2Z)-1-ethyl-2-[(Z)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole bromide
SYSTEMATIC NAME: (2Z)-1-ethyl-2-[(Z)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methyl-prop-2-enylidene]benzo[e][1,3]benzothiazole bromide
MOLECULAR FORMULA: C30H27BrN2S2
MOLECULAR WEIGHT: 559.58278
SMILES: CCN1/C(=C/C(=C\C2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)/C)/SC5=C1C6=CC=CC=C6C=C5.[Br-]
Structure:
CAS RN: 126168-62-5
CAS Name: (2Z)-1-ethyl-2-[(Z)-3-(1-ethyl-2-benzo[e][1,3]benzothiazol-1-iumyl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole bromide
OPENEYE Name: (2Z)-1-ethyl-2-[(Z)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methyl-prop-2-enylidene]benzo[e][1,3]benzothiazole bromide
IUPAC Name: (2Z)-1-ethyl-2-[(Z)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole bromide
SYSTEMATIC NAME: (2Z)-1-ethyl-2-[(Z)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methyl-prop-2-enylidene]benzo[e][1,3]benzothiazole bromide
MOLECULAR FORMULA: C30H27BrN2S2
MOLECULAR WEIGHT: 559.58278
SMILES: CCN1/C(=C/C(=C\C2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)/C)/SC5=C1C6=CC=CC=C6C=C5.[Br-]
Structure:
CAS RN: 134664-99-6
CAS Name: (2Z)-1-ethyl-2-[(Z)-3-(1-ethyl-2-benzo[e][1,3]benzothiazol-1-iumyl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole bromide
OPENEYE Name: (2Z)-1-ethyl-2-[(Z)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methyl-prop-2-enylidene]benzo[e][1,3]benzothiazole bromide
IUPAC Name: (2Z)-1-ethyl-2-[(Z)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole bromide
SYSTEMATIC NAME: (2Z)-1-ethyl-2-[(Z)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methyl-prop-2-enylidene]benzo[e][1,3]benzothiazole bromide
MOLECULAR FORMULA: C30H27BrN2S2
MOLECULAR WEIGHT: 559.58278
SMILES: CCN1/C(=C/C(=C\C2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)/C)/SC5=C1C6=CC=CC=C6C=C5.[Br-]
Structure:
CAS RN: 275358-11-7
CAS Name: (2Z)-1-ethyl-2-[(Z)-3-(1-ethyl-2-benzo[e][1,3]benzothiazol-1-iumyl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole bromide
OPENEYE Name: (2Z)-1-ethyl-2-[(Z)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methyl-prop-2-enylidene]benzo[e][1,3]benzothiazole bromide
IUPAC Name: (2Z)-1-ethyl-2-[(Z)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methylprop-2-enylidene]benzo[e][1,3]benzothiazole bromide
SYSTEMATIC NAME: (2Z)-1-ethyl-2-[(Z)-3-(1-ethylbenzo[e][1,3]benzothiazol-1-ium-2-yl)-2-methyl-prop-2-enylidene]benzo[e][1,3]benzothiazole bromide
MOLECULAR FORMULA: C30H27BrN2S2
MOLECULAR WEIGHT: 559.58278
SMILES: CCN1/C(=C/C(=C\C2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)/C)/SC5=C1C6=CC=CC=C6C=C5.[Br-]
Structure:
CAS RN: 6988-86-9
CAS Name: 13-(2-carboxyethyl)-7,17-diethyl-3,8,12,18-tetramethyl-21,24-dihydroporphyrin-2-carboxylic acid
OPENEYE Name: 13-(2-carboxyethyl)-7,17-diethyl-3,8,12,18-tetramethyl-21,24-dihydroporphyrin-2-carboxylic acid
IUPAC Name: 13-(2-carboxyethyl)-7,17-diethyl-3,8,12,18-tetramethyl-21,24-dihydroporphyrin-2-carboxylic acid
SYSTEMATIC NAME: 7,17-diethyl-13-(3-hydroxy-3-oxopropyl)-3,8,12,18-tetramethyl-21,24-dihydroporphyrin-2-carboxylic acid
MOLECULAR FORMULA: C32H34N4O4
MOLECULAR WEIGHT: 538.63676
SMILES: CCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=CC1=N2)N5)C)C(=O)O)C)CC)C(=C3C)CCC(=O)O)C
Structure:
CAS RN: 6904-93-4
CAS Name: (2E)-5,7-dichloro-2-(5,6,7-trichloro-3-oxo-1-benzothiophen-2-ylidene)-1H-indol-3-one
OPENEYE Name: (2E)-5,7-dichloro-2-(5,6,7-trichloro-3-oxo-benzothiophen-2-ylidene)indolin-3-one
IUPAC Name: (2E)-5,7-dichloro-2-(5,6,7-trichloro-3-oxo-1-benzothiophen-2-ylidene)-1H-indol-3-one
SYSTEMATIC NAME: (2E)-5,7-bis(chloranyl)-2-[5,6,7-tris(chloranyl)-3-oxidanylidene-1-benzothiophen-2-ylidene]-1H-indol-3-one
MOLECULAR FORMULA: C16H4Cl5NO2S
MOLECULAR WEIGHT: 451.53846
SMILES: C1=C(C=C2C(=C1Cl)N/C(=C/3\C(=O)C4=CC(=C(C(=C4S3)Cl)Cl)Cl)/C2=O)Cl
Structure:
CAS RN: 6784-82-3
CAS Name: 17-(2-carboxyethyl)-7,12-diethyl-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-carboxylic acid
OPENEYE Name: 17-(2-carboxyethyl)-7,12-diethyl-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-carboxylic acid
IUPAC Name: 17-(2-carboxyethyl)-7,12-diethyl-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-carboxylic acid
SYSTEMATIC NAME: 7,12-diethyl-17-(3-hydroxy-3-oxopropyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-carboxylic acid
MOLECULAR FORMULA: C32H34N4O4
MOLECULAR WEIGHT: 538.63676
SMILES: CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5C)CC)C(=C4C)CCC(=O)O)N3)C(=O)O)C
Structure:
CAS RN: 6424-67-5
CAS Name: (2Z)-5,7-dichloro-2-(1-oxo-2-benzo[e][1]benzothiolylidene)-1H-indol-3-one
OPENEYE Name: (2Z)-5,7-dichloro-2-(1-oxobenzo[e]benzothiophen-2-ylidene)indolin-3-one
IUPAC Name: (2Z)-5,7-dichloro-2-(1-oxobenzo[e][1]benzothiol-2-ylidene)-1H-indol-3-one
SYSTEMATIC NAME: (2Z)-5,7-bis(chloranyl)-2-(1-oxidanylidenebenzo[e][1]benzothiol-2-ylidene)-1H-indol-3-one
MOLECULAR FORMULA: C20H9Cl2NO2S
MOLECULAR WEIGHT: 398.26196
SMILES: C1=CC=C2C(=C1)C=CC3=C2C(=O)/C(=C/4\C(=O)C5=CC(=CC(=C5N4)Cl)Cl)/S3
Structure:
CAS RN: 6406-10-6
CAS Name: (2E)-5,7-dichloro-2-(6-chloro-4-methyl-3-oxo-1-benzothiophen-2-ylidene)-1H-indol-3-one
OPENEYE Name: (2E)-5,7-dichloro-2-(6-chloro-4-methyl-3-oxo-benzothiophen-2-ylidene)indolin-3-one
IUPAC Name: (2E)-5,7-dichloro-2-(6-chloro-4-methyl-3-oxo-1-benzothiophen-2-ylidene)-1H-indol-3-one
SYSTEMATIC NAME: (2E)-5,7-bis(chloranyl)-2-(6-chloranyl-4-methyl-3-oxidanylidene-1-benzothiophen-2-ylidene)-1H-indol-3-one
MOLECULAR FORMULA: C17H8Cl3NO2S
MOLECULAR WEIGHT: 396.67492
SMILES: CC1=CC(=CC2=C1C(=O)/C(=C\3/C(=O)C4=CC(=CC(=C4N3)Cl)Cl)/S2)Cl
Structure:
CAS RN: 6303-15-7
CAS Name: aluminum (Z)-6-methyl-2-oxo-3-hepten-4-olate
OPENEYE Name: aluminum (Z)-6-methyl-2-oxo-hept-3-en-4-olate
IUPAC Name: aluminum (Z)-6-methyl-2-oxohept-3-en-4-olate
SYSTEMATIC NAME: aluminum (Z)-6-methyl-2-oxidanylidene-hept-3-en-4-olate
MOLECULAR FORMULA: C24H39AlO6
MOLECULAR WEIGHT: 450.544398
SMILES: CC(C/C(=C/C(=O)C)/[O-])C.CC(C/C(=C/C(=O)C)/[O-])C.CC(C/C(=C/C(=O)C)/[O-])C.[Al+3]
Structure:
CAS RN: 6270-81-1
CAS Name: (2E)-1-ethyl-2-[(1-ethyl-6-methyl-4-quinolin-1-iumyl)methylidene]-6-methylquinoline iodide
OPENEYE Name: (2E)-1-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-4-yl)methylene]-6-methyl-quinoline iodide
IUPAC Name: (2E)-1-ethyl-2-[(1-ethyl-6-methylquinolin-1-ium-4-yl)methylidene]-6-methylquinoline iodide
SYSTEMATIC NAME: (2E)-1-ethyl-2-[(1-ethyl-6-methyl-quinolin-1-ium-4-yl)methylidene]-6-methyl-quinoline iodide
MOLECULAR FORMULA: C25H27IN2
MOLECULAR WEIGHT: 482.39975
SMILES: CCN1/C(=C/C2=C3C=C(C=CC3=[N+](C=C2)CC)C)/C=CC4=C1C=CC(=C4)C.[I-]
Structure:
CAS RN: 6201-72-5
CAS Name: 4-[(4-amino-8-hydroxy-1-naphthalenyl)imino]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[(4-amino-8-hydroxy-1-naphthyl)imino]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-(4-amino-8-hydroxynaphthalen-1-yl)iminocyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-(4-azanyl-8-oxidanyl-naphthalen-1-yl)iminocyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C16H12N2O2
MOLECULAR WEIGHT: 264.27868
SMILES: C1=CC2=C(C=CC(=C2C(=C1)O)N=C3C=CC(=O)C=C3)N
Structure:
CAS RN: 6170-08-7
CAS Name: acetic acid [(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-acetyloxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-acetoxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-acetyloxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-acetyloxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C25H40O4
MOLECULAR WEIGHT: 404.5827
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)OC(=O)C
Structure:
CAS RN: 6153-65-7
CAS Name: disodium (5S,5aR,6S,6aR,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-5,6,10a-trihydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydrotetracene-1,12-diolate dihydrate
OPENEYE Name: disodium (5S,5aR,6S,6aR,7S,9Z,10aS)-9-[amino(hydroxy)methylene]-7-(dimethylamino)-5,6,10a-trihydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydrotetracene-1,12-diolate dihydrate
IUPAC Name: disodium (5S,5aR,6S,6aR,7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-7-(dimethylamino)-5,6,10a-trihydroxy-5-methyl-8,10,11-trioxo-5a,6,6a,7-tetrahydrotetracene-1,12-diolate dihydrate
SYSTEMATIC NAME: disodium (5S,5aR,6S,6aR,7S,9Z,10aS)-9-[azanyl(oxidanyl)methylidene]-7-(dimethylamino)-5-methyl-5,6,10a-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydrotetracene-1,12-diolate dihydrate
MOLECULAR FORMULA: C22H26N2Na2O11
MOLECULAR WEIGHT: 540.42818
SMILES: C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4[O-])[O-])O)N(C)C)O)O.O.O.[Na+].[Na+]
Structure:
CAS RN: 5715-76-4
CAS Name: disodium 4-[(E)-(3-carboxylato-4-oxo-1-naphthalenylidene)-phenylmethyl]-1-hydroxy-2-naphthalenecarboxylate
OPENEYE Name: disodium 4-[(E)-(3-carboxylato-4-oxo-1-naphthylidene)-phenyl-methyl]-1-hydroxy-naphthalene-2-carboxylate
IUPAC Name: disodium 4-[(E)-(3-carboxylato-4-oxonaphthalen-1-ylidene)-phenylmethyl]-1-hydroxynaphthalene-2-carboxylate
SYSTEMATIC NAME: disodium 4-[(E)-(3-carboxylato-4-oxidanylidene-naphthalen-1-ylidene)-phenyl-methyl]-1-oxidanyl-naphthalene-2-carboxylate
MOLECULAR FORMULA: C29H16Na2O6
MOLECULAR WEIGHT: 506.41328
SMILES: C1=CC=C(C=C1)/C(=C\2/C=C(C(=O)C3=CC=CC=C32)C(=O)[O-])/C4=CC(=C(C5=CC=CC=C54)O)C(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 5529-89-5
CAS Name: 3-[2-[(E)-2-[(Z)-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate
OPENEYE Name: 3-[2-[(E)-2-[(Z)-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
IUPAC Name: 3-[2-[(E)-2-[(Z)-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
SYSTEMATIC NAME: 3-[2-[(E)-2-[(Z)-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
MOLECULAR FORMULA: C30H30N2O4S2
MOLECULAR WEIGHT: 546.7002
SMILES: CC/C(=C\C1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)[O-])/C=C\3/N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)CC
Structure:
CAS RN: 68594-62-7
CAS Name: 5-[[4-acetamido-2-(trifluoromethyl)phenyl]hydrazo]-6-imino-4-oxo-2-naphthalenesulfonic acid
OPENEYE Name: 5-[2-[4-acetamido-2-(trifluoromethyl)phenyl]hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonic acid
IUPAC Name: 5-[2-[4-acetamido-2-(trifluoromethyl)phenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonic acid
SYSTEMATIC NAME: 5-[2-[4-acetamido-2-(trifluoromethyl)phenyl]hydrazinyl]-6-azanylidene-4-oxidanylidene-naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C19H15F3N4O5S
MOLECULAR WEIGHT: 468.40641
SMILES: CC(=O)NC1=CC(=C(C=C1)NNC2=C3C(=CC(=CC3=O)S(=O)(=O)O)C=CC2=N)C(F)(F)F
Structure:
CAS RN: 68586-04-9
CAS Name: copper (6E)-6-[(5-chloro-2-oxidophenyl)hydrazinylidene]-5-oxo-1-cyclohexa-1,3-dienolate
OPENEYE Name: copper (6E)-6-[(5-chloro-2-oxido-phenyl)hydrazono]-5-oxo-cyclohexa-1,3-dien-1-olate
IUPAC Name: copper (6E)-6-[(5-chloro-2-oxidophenyl)hydrazinylidene]-5-oxocyclohexa-1,3-dien-1-olate
SYSTEMATIC NAME: copper (6E)-6-[(5-chloranyl-2-oxidanidyl-phenyl)hydrazinylidene]-5-oxidanylidene-cyclohexa-1,3-dien-1-olate
MOLECULAR FORMULA: C12H7ClCuN2O3
MOLECULAR WEIGHT: 326.19458
SMILES: C1=CC(=O)/C(=N/NC2=C(C=CC(=C2)Cl)[O-])/C(=C1)[O-].[Cu+2]
Structure:
CAS RN: 68556-15-0
CAS Name: disodium (Z)-1-(5-chloro-2,4-dimethoxyanilino)-3-[4-[(Z)-3-(5-chloro-2,4-dimethoxyanilino)-3-oxido-1-oxoprop-2-enyl]phenyl]-3-oxo-1-propen-1-olate
OPENEYE Name: disodium (Z)-1-(5-chloro-2,4-dimethoxy-anilino)-3-[4-[(Z)-3-(5-chloro-2,4-dimethoxy-anilino)-3-oxido-prop-2-enoyl]phenyl]-3-oxo-prop-1-en-1-olate
IUPAC Name: disodium (Z)-1-(5-chloro-2,4-dimethoxyanilino)-3-[4-[(Z)-3-(5-chloro-2,4-dimethoxyanilino)-3-oxidoprop-2-enoyl]phenyl]-3-oxoprop-1-en-1-olate
SYSTEMATIC NAME: disodium (Z)-1-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-3-[4-[(Z)-3-[(5-chloranyl-2,4-dimethoxy-phenyl)amino]-3-oxidanidyl-prop-2-enoyl]phenyl]-3-oxidanylidene-prop-1-en-1-olate
MOLECULAR FORMULA: C28H24Cl2N2Na2O8
MOLECULAR WEIGHT: 633.3843
SMILES: COC1=CC(=C(C=C1N/C(=C/C(=O)C2=CC=C(C=C2)C(=O)/C=C(\[O-])/NC3=CC(=C(C=C3OC)OC)Cl)/[O-])Cl)OC.[Na+].[Na+]
Structure:
CAS RN: 68556-07-0
CAS Name: sodium 3-[(4-nitroanilino)-oxomethyl]-2-naphthalenolate
OPENEYE Name: sodium 3-[(4-nitrophenyl)carbamoyl]naphthalen-2-olate
IUPAC Name: sodium 3-[(4-nitrophenyl)carbamoyl]naphthalen-2-olate
SYSTEMATIC NAME: sodium 3-[(4-nitrophenyl)carbamoyl]naphthalen-2-olate
MOLECULAR FORMULA: C17H11N2NaO4
MOLECULAR WEIGHT: 330.27001
SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])[O-].[Na+]
Structure:
CAS RN: 68540-94-3
CAS Name: disodium (Z)-1-[2-methyl-4-[3-methyl-4-[[(E)-1-oxido-3-oxobut-1-enyl]amino]phenyl]anilino]-3-oxo-1-buten-1-olate
OPENEYE Name: disodium (Z)-1-[2-methyl-4-[3-methyl-4-[[(E)-1-oxido-3-oxo-but-1-enyl]amino]phenyl]anilino]-3-oxo-but-1-en-1-olate
IUPAC Name: disodium (Z)-1-[2-methyl-4-[3-methyl-4-[[(E)-1-oxido-3-oxobut-1-enyl]amino]phenyl]anilino]-3-oxobut-1-en-1-olate
SYSTEMATIC NAME: disodium (Z)-1-[[2-methyl-4-[3-methyl-4-[[(E)-1-oxidanidyl-3-oxidanylidene-but-1-enyl]amino]phenyl]phenyl]amino]-3-oxidanylidene-but-1-en-1-olate
MOLECULAR FORMULA: C22H22N2Na2O4
MOLECULAR WEIGHT: 424.40062
SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N/C(=C/C(=O)C)/[O-])C)N/C(=C\C(=O)C)/[O-].[Na+].[Na+]
Structure:
CAS RN: 68540-44-3
CAS Name: N-[(Z)-1-[4-(3,3-dimethyldecyl)phenyl]-1-nitrosooct-1-en-2-yl]hydroxylamine
OPENEYE Name: N-[(1Z)-1-[[4-(3,3-dimethyldecyl)phenyl]-nitroso-methylene]heptyl]hydroxylamine
IUPAC Name: N-[(Z)-1-[4-(3,3-dimethyldecyl)phenyl]-1-nitrosooct-1-en-2-yl]hydroxylamine
SYSTEMATIC NAME: N-[(Z)-1-[4-(3,3-dimethyldecyl)phenyl]-1-nitroso-oct-1-en-2-yl]hydroxylamine
MOLECULAR FORMULA: C26H44N2O2
MOLECULAR WEIGHT: 416.63976
SMILES: CCCCCCCC(C)(C)CCC1=CC=C(C=C1)/C(=C(\CCCCCC)/NO)/N=O
Structure:
CAS RN: 68516-99-4
CAS Name: copper 6-[2-(8-amino-1-oxo-5,7-disulfo-2-naphthalenylidene)hydrazinyl]-2-[2-oxido-4-(2-sulfooxyethylsulfonyl)phenyl]azo-3-sulfo-1-naphthalenolate
OPENEYE Name: copper 6-[2-(8-amino-1-oxo-5,7-disulfo-2-naphthylidene)hydrazino]-2-[2-oxido-4-(2-sulfooxyethylsulfonyl)phenyl]azo-3-sulfo-naphthalen-1-olate
IUPAC Name: copper 6-[2-(8-amino-1-oxo-5,7-disulfonaphthalen-2-ylidene)hydrazinyl]-2-[[2-oxido-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-sulfonaphthalen-1-olate
SYSTEMATIC NAME: copper 6-[2-(8-azanyl-1-oxidanylidene-5,7-disulfo-naphthalen-2-ylidene)hydrazinyl]-2-[[2-oxidanidyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-sulfo-naphthalen-1-olate
MOLECULAR FORMULA: C28H21CuN5O18S5
MOLECULAR WEIGHT: 939.36004
SMILES: C1=CC2=C(C(=C(C=C2C=C1NN=C3C=CC4=C(C3=O)C(=C(C=C4S(=O)(=O)O)S(=O)(=O)O)N)S(=O)(=O)O)N=NC5=C(C=C(C=C5)S(=O)(=O)CCOS(=O)(=O)O)[O-])[O-].[Cu+2]
Structure:
CAS RN: 68516-61-0
CAS Name: 4-[(E)-2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethyl-2-indol-1-iumyl]ethenyl]-2-methyl-3-phenyl-5-isoxazolone iodide
OPENEYE Name: 4-[(E)-2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethyl-indol-1-ium-2-yl]vinyl]-2-methyl-3-phenyl-isoxazol-5-one iodide
IUPAC Name: 4-[(E)-2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one iodide
SYSTEMATIC NAME: 4-[(E)-2-[1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)indol-1-ium-2-yl]ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one iodide
MOLECULAR FORMULA: C30H29IN2O4S
MOLECULAR WEIGHT: 640.53173
SMILES: CC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)(C)C)/C=C/C4=C(N(OC4=O)C)C5=CC=CC=C5.[I-]
Structure:
CAS RN: 68516-58-5
CAS Name: 3-hydroxy-7-[[(4-nitrophenyl)-oxomethyl]amino]-1-naphthalenesulfonic acid
OPENEYE Name: 3-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-1-sulfonic acid
IUPAC Name: 3-hydroxy-7-[(4-nitrobenzoyl)amino]naphthalene-1-sulfonic acid
SYSTEMATIC NAME: 7-[(4-nitrophenyl)carbonylamino]-3-oxidanyl-naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C17H12N2O7S
MOLECULAR WEIGHT: 388.35138
SMILES: C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C(C=C3C=C2)O)S(=O)(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 68516-55-2
CAS Name: 1,4-diamino-2-bromo-5-nitroanthracene-9,10-dione
OPENEYE Name: 1,4-diamino-2-bromo-5-nitro-anthracene-9,10-dione
IUPAC Name: 1,4-diamino-2-bromo-5-nitroanthracene-9,10-dione
SYSTEMATIC NAME: 1,4-bis(azanyl)-2-bromanyl-5-nitro-anthracene-9,10-dione
MOLECULAR FORMULA: C14H8BrN3O4
MOLECULAR WEIGHT: 362.13502
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C2=O)C(=C(C=C3N)Br)N
Structure:
CAS RN: 68443-89-0
CAS Name: 2-[(2Z)-2-[(E)-3-(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)-2-thiophen-2-ylprop-2-enylidene]-6-methoxy-5-methyl-1,3-benzothiazol-3-yl]ethanol bromide
OPENEYE Name: 2-[(2Z)-2-[(E)-3-(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)-2-(2-thienyl)prop-2-enylidene]-6-methoxy-5-methyl-1,3-benzothiazol-3-yl]ethanol bromide
IUPAC Name: 2-[(2Z)-2-[(E)-3-(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)-2-thiophen-2-ylprop-2-enylidene]-6-methoxy-5-methyl-1,3-benzothiazol-3-yl]ethanol bromide
SYSTEMATIC NAME: 2-[(2Z)-2-[(E)-3-(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)-2-thiophen-2-yl-prop-2-enylidene]-6-methoxy-5-methyl-1,3-benzothiazol-3-yl]ethanol bromide
MOLECULAR FORMULA: C28H29BrN2O3S2Se
MOLECULAR WEIGHT: 664.53546
SMILES: CC[N+]1=C([Se]C2=C1C=C(C=C2)OC)/C=C(\C=C/3\N(C4=C(S3)C=C(C(=C4)C)OC)CCO)/C5=CC=CS5.[Br-]
Structure:
CAS RN: 68400-41-9
CAS Name: 3-[3-methoxy-4-[2-(4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]phenyl]azobenzenesulfonic acid
OPENEYE Name: 3-[3-methoxy-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]azobenzenesulfonic acid
IUPAC Name: 3-[[3-methoxy-4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]diazenyl]benzenesulfonic acid
SYSTEMATIC NAME: 3-[[3-methoxy-4-[2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]diazenyl]benzenesulfonic acid
MOLECULAR FORMULA: C19H16N4O5S
MOLECULAR WEIGHT: 412.41914
SMILES: COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)NN=C3C=CC(=O)C=C3
Structure:
CAS RN: 68399-90-6
CAS Name: 1-amino-9,10-dioxo-4-[4-(4-sulfophenyl)azoanilino]-2-anthracenesulfonic acid
OPENEYE Name: 1-amino-9,10-dioxo-4-[4-(4-sulfophenyl)azoanilino]anthracene-2-sulfonic acid
IUPAC Name: 1-amino-9,10-dioxo-4-[4-[(4-sulfophenyl)diazenyl]anilino]anthracene-2-sulfonic acid
SYSTEMATIC NAME: 1-azanyl-9,10-bis(oxidanylidene)-4-[[4-[(4-sulfophenyl)diazenyl]phenyl]amino]anthracene-2-sulfonic acid
MOLECULAR FORMULA: C26H18N4O8S2
MOLECULAR WEIGHT: 578.57312
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)N=NC5=CC=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)N
Structure:
CAS RN: 68239-65-6
CAS Name: 2-acetyloxy-3-[(2E)-5,6-dichloro-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1-benzimidazolyl]-1-propanesulfonate
OPENEYE Name: 2-acetoxy-3-[(2E)-5,6-dichloro-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]propane-1-sulfonate
IUPAC Name: 2-acetyloxy-3-[(2E)-5,6-dichloro-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]propane-1-sulfonate
SYSTEMATIC NAME: 2-acetyloxy-3-[(2E)-5,6-bis(chloranyl)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzimidazol-1-yl]propane-1-sulfonate
MOLECULAR FORMULA: C26H27Cl2N3O6S
MOLECULAR WEIGHT: 580.48008
SMILES: CCN\1C2=CC(=C(C=C2N(/C1=C/C=C/C3=[N+](C4=CC=CC=C4O3)CC)CC(CS(=O)(=O)[O-])OC(=O)C)Cl)Cl
Structure:
CAS RN: 68239-10-1
CAS Name: N,N-diethylethanamine; 3-[(2Z)-2-[(E)-2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]-1-propanesulfonate
OPENEYE Name: N,N-diethylethanamine; 3-[(2Z)-2-[(E)-2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate
IUPAC Name: N,N-diethylethanamine; 3-[(2Z)-2-[(E)-2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate
SYSTEMATIC NAME: N,N-diethylethanamine; 3-[(2Z)-2-[(E)-2-methyl-3-[3-(3-sulfopropyl)-1,3-benzothiazol-3-ium-2-yl]prop-2-enylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate
MOLECULAR FORMULA: C30H41N3O6S4
MOLECULAR WEIGHT: 667.92304
SMILES: CCN(CC)CC.C/C(=C\C1=[N+](C2=CC=CC=C2S1)CCCS(=O)(=O)O)/C=C\3/N(C4=CC=CC=C4S3)CCCS(=O)(=O)[O-]
Structure:
CAS RN: 68227-43-0
CAS Name: 5-[(2,5-dichlorophenyl)hydrazo]-6-imino-4-oxo-2-naphthalenesulfonic acid
OPENEYE Name: 5-[2-(2,5-dichlorophenyl)hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonic acid
IUPAC Name: 5-[2-(2,5-dichlorophenyl)hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonic acid
SYSTEMATIC NAME: 6-azanylidene-5-[2-[2,5-bis(chloranyl)phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C16H11Cl2N3O4S
MOLECULAR WEIGHT: 412.24724
SMILES: C1=CC(=N)C(=C2C1=CC(=CC2=O)S(=O)(=O)O)NNC3=C(C=CC(=C3)Cl)Cl
Structure:
CAS RN: 68213-93-4
CAS Name: N-(8-acetamido-4,5-dinitro-9,10-dioxo-1-anthracenyl)acetamide
OPENEYE Name: N-(8-acetamido-4,5-dinitro-9,10-dioxo-1-anthryl)acetamide
IUPAC Name: N-(8-acetamido-4,5-dinitro-9,10-dioxoanthracen-1-yl)acetamide
SYSTEMATIC NAME: N-[8-acetamido-4,5-dinitro-9,10-bis(oxidanylidene)anthracen-1-yl]ethanamide
MOLECULAR FORMULA: C18H12N4O8
MOLECULAR WEIGHT: 412.30988
SMILES: CC(=O)NC1=C2C(=C(C=C1)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)NC(=O)C)[N+](=O)[O-]
Structure:
CAS RN: 68201-77-4
CAS Name: 4-[[4-(3-nitrophenyl)azophenyl]hydrazinylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-[[4-(3-nitrophenyl)azophenyl]hydrazono]cyclohexa-2,5-dien-1-one
IUPAC Name: 4-[[4-[(3-nitrophenyl)diazenyl]phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 4-[[4-[(3-nitrophenyl)diazenyl]phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C18H13N5O3
MOLECULAR WEIGHT: 347.32752
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])N=NC2=CC=C(C=C2)NN=C3C=CC(=O)C=C3
Structure:
CAS RN: 68201-66-1
CAS Name: copper; (1Z)-3-[2,5-bis(ethoxycarbonyloxy)phenyl]-1-(2-oxocyclopentylidene)-1-propanolate; (1Z)-3-[3,5-bis(ethoxycarbonyloxy)phenyl]-1-(2-oxocyclopentylidene)-1-propanolate
OPENEYE Name: copper; (1Z)-3-[2,5-bis(ethoxycarbonyloxy)phenyl]-1-(2-oxocyclopentylidene)propan-1-olate; (1Z)-3-[3,5-bis(ethoxycarbonyloxy)phenyl]-1-(2-oxocyclopentylidene)propan-1-olate
IUPAC Name: copper; (1Z)-3-[2,5-bis(ethoxycarbonyloxy)phenyl]-1-(2-oxocyclopentylidene)propan-1-olate; (1Z)-3-[3,5-bis(ethoxycarbonyloxy)phenyl]-1-(2-oxocyclopentylidene)propan-1-olate
SYSTEMATIC NAME: copper; (1Z)-3-[2,5-bis(ethoxycarbonyloxy)phenyl]-1-(2-oxidanylidenecyclopentylidene)propan-1-olate; (1Z)-3-[3,5-bis(ethoxycarbonyloxy)phenyl]-1-(2-oxidanylidenecyclopentylidene)propan-1-olate
MOLECULAR FORMULA: C40H46CuO16
MOLECULAR WEIGHT: 846.32964
SMILES: CCOC(=O)OC1=CC(=C(C=C1)OC(=O)OCC)CC/C(=C/2\CCCC2=O)/[O-].CCOC(=O)OC1=CC(=CC(=C1)CC/C(=C/2\CCCC2=O)/[O-])OC(=O)OCC.[Cu+2]
Structure:
CAS RN: 68140-31-8
CAS Name: dicopper trisodium 3-[[5-[4-[(2,8-dioxo-6-sulfonato-1-naphthalenyl)hydrazo]-3-oxidophenyl]-2-oxidophenyl]hydrazo]-4,5-dioxidonaphthalene-2,7-disulfonate
OPENEYE Name: dicopper trisodium 3-[2-[5-[4-[2-(2,8-dioxo-6-sulfonato-1-naphthyl)hydrazino]-3-oxido-phenyl]-2-oxido-phenyl]hydrazino]-4,5-dioxido-naphthalene-2,7-disulfonate
IUPAC Name: dicopper trisodium 3-[2-[5-[4-[2-(2,8-dioxo-6-sulfonatonaphthalen-1-yl)hydrazinyl]-3-oxidophenyl]-2-oxidophenyl]hydrazinyl]-4,5-dioxidonaphthalene-2,7-disulfonate
SYSTEMATIC NAME: dicopper trisodium 3-[2-[5-[4-[2-[2,8-bis(oxidanylidene)-6-sulfonato-naphthalen-1-yl]hydrazinyl]-3-oxidanidyl-phenyl]-2-oxidanidyl-phenyl]hydrazinyl]-4,5-bis(oxidanidyl)naphthalene-2,7-disulfonate
MOLECULAR FORMULA: C32H17Cu2N4Na3O15S3
MOLECULAR WEIGHT: 989.75149
SMILES: C1=CC(=C(C=C1C2=CC(=C(C=C2)[O-])NNC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])[O-])NNC5=C6C(=CC(=CC6=O)S(=O)(=O)[O-])C=CC5=O.[Na+].[Na+].[Na+].[Cu+2].[Cu+2]
Structure:
CAS RN: 68134-19-0
CAS Name: 5-nitro-2-[4-[[3-(4-nitro-2-sulfophenyl)imino-6-oxo-1-cyclohexa-1,4-dienyl]hydrazo]anilino]benzenesulfonic acid
OPENEYE Name: 5-nitro-2-[4-[2-[3-(4-nitro-2-sulfo-phenyl)imino-6-oxo-cyclohexa-1,4-dien-1-yl]hydrazino]anilino]benzenesulfonic acid
IUPAC Name: 5-nitro-2-[4-[2-[3-(4-nitro-2-sulfophenyl)imino-6-oxocyclohexa-1,4-dien-1-yl]hydrazinyl]anilino]benzenesulfonic acid
SYSTEMATIC NAME: 5-nitro-2-[[4-[2-[3-(4-nitro-2-sulfo-phenyl)imino-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]hydrazinyl]phenyl]amino]benzenesulfonic acid
MOLECULAR FORMULA: C24H18N6O11S2
MOLECULAR WEIGHT: 630.56332
SMILES: C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O)NNC3=CC(=NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)O)C=CC3=O
Structure:
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