CAS RN: 70210-40-1
CAS Name: disodium 5-[[4-[(2-bromo-1-oxoprop-2-enyl)amino]-2-sulfonatophenyl]hydrazo]-6-imino-4-oxo-2-naphthalenesulfonate
OPENEYE Name: disodium 5-[2-[4-(2-bromoprop-2-enoylamino)-2-sulfonato-phenyl]hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonate
IUPAC Name: disodium 5-[2-[4-(2-bromoprop-2-enoylamino)-2-sulfonatophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonate
SYSTEMATIC NAME: disodium 6-azanylidene-5-[2-[4-(2-bromanylprop-2-enoylamino)-2-sulfonato-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonate
MOLECULAR FORMULA: C19H13BrN4Na2O8S2
MOLECULAR WEIGHT: 615.34206
SMILES: C=C(C(=O)NC1=CC(=C(C=C1)NNC2=C3C(=CC(=CC3=O)S(=O)(=O)[O-])C=CC2=N)S(=O)(=O)[O-])Br.[Na+].[Na+]
Structure:
CAS RN: 69445-02-9
CAS Name: [1-[3-(3-methyl-1-imidazol-3-iumyl)propyl]-4-pyridinylidene]methyl-oxoammonium dibromide
OPENEYE Name: [1-[3-(3-methylimidazol-3-ium-1-yl)propyl]-4-pyridylidene]methyl-oxo-ammonium dibromide
IUPAC Name: [1-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxoazanium dibromide
SYSTEMATIC NAME: [1-[3-(3-methylimidazol-3-ium-1-yl)propyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium dibromide
MOLECULAR FORMULA: C13H18Br2N4O
MOLECULAR WEIGHT: 406.11622
SMILES: C[N+]1=CN(C=C1)CCCN2C=CC(=C[NH+]=O)C=C2.[Br-].[Br-]
Structure:
CAS RN: 8067-12-7
CAS Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: (2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C33H38O22
MOLECULAR WEIGHT: 786.64162
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.C([C@@H]([C@@H]1C(=O)C(=C(O1)O)O)O)O
Structure:
CAS RN: 8048-44-0
CAS Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]
OPENEYE Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-
IUPAC Name: (2Z,4S,4aS,5aS,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-1
SYSTEMATIC NAME: (2Z,4S,4aS,5aS,6S,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-
MOLECULAR FORMULA: C57H85N3O24P-3
MOLECULAR WEIGHT: 1227.264261
SMILES: C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)N(C)C.C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O
Structure:
CAS RN: 8017-33-2
CAS Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,1
OPENEYE Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15
IUPAC Name: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,
SYSTEMATIC NAME: (2Z,4S,4aR,5S,5aR,6S,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-5,6,10,11,12a-pentakis(oxidanyl)-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione; (8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-2,6,
MOLECULAR FORMULA: C43H55ClN2O14
MOLECULAR WEIGHT: 859.3548
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O.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=C4O)O)O)N(C)C)O)O.Cl
Structure:
CAS RN: 8004-31-7
CAS Name: 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione; 7-[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione; dihydrochloride
OPENEYE Name: 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione; 7-[2-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione; dihydrochloride
IUPAC Name: 7-[2-[[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione; 7-[2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione; dihydrochloride
SYSTEMATIC NAME: 7-[2-[[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione; 1,3-dimethyl-7-[2-[[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]ethyl]purine-2,6-dione; dihydrochloride
MOLECULAR FORMULA: C35H46Cl2N10O8
MOLECULAR WEIGHT: 805.70794
SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC(C3=CC(=C(C=C3)O)O)O.Cl.Cl
Structure:
CAS RN: 7460-19-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H32K2N4O5
MOLECULAR WEIGHT: 654.83828
SMILES: CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=N5)C=C6C(=C(C(=CC(=C1C)N2)N6)C=C)C)C)CCC(=O)[O-])C4=N3)C(=O)[O-])C.[K+].[K+]
Structure:
CAS RN: 6736-02-3
CAS Name: oxo-[[1-[3-[4-(oxoammoniomethylidene)-1-pyridinyl]propyl]-4-pyridinylidene]methyl]ammonium
OPENEYE Name: oxo-[[1-[3-[4-(oxoammoniomethylene)-1-pyridyl]propyl]-4-pyridylidene]methyl]ammonium
IUPAC Name: oxo-[[1-[3-[4-(oxoazaniumylmethylidene)pyridin-1-yl]propyl]pyridin-4-ylidene]methyl]azanium
SYSTEMATIC NAME: oxidanylidene-[[1-[3-[4-(oxidanylideneazaniumylmethylidene)pyridin-1-yl]propyl]pyridin-4-ylidene]methyl]azanium
MOLECULAR FORMULA: C15H18N4O2+2
MOLECULAR WEIGHT: 286.32902
SMILES: C1=CN(C=CC1=C[NH+]=O)CCCN2C=CC(=C[NH+]=O)C=C2
Structure:
CAS RN: 6602-90-0
CAS Name: [(1S,3Z,4aS,11S,11aS,12aS)-3-[amino(hydroxy)methylidene]-4a,6,7,11-tetrahydroxy-11-methyl-2,4,5-trioxo-1,11a,12,12a-tetrahydrotetracen-1-yl]-trimethylammonium iodide
OPENEYE Name: [(1S,3Z,4aS,11S,11aS,12aS)-3-[amino(hydroxy)methylene]-4a,6,7,11-tetrahydroxy-11-methyl-2,4,5-trioxo-1,11a,12,12a-tetrahydrotetracen-1-yl]-trimethyl-ammonium iodide
IUPAC Name: [(1S,3Z,4aS,11S,11aS,12aS)-3-[amino(hydroxy)methylidene]-4a,6,7,11-tetrahydroxy-11-methyl-2,4,5-trioxo-1,11a,12,12a-tetrahydrotetracen-1-yl]-trimethylazanium iodide
SYSTEMATIC NAME: [(1S,3Z,4aS,11S,11aS,12aS)-3-[azanyl(oxidanyl)methylidene]-11-methyl-4a,6,7,11-tetrakis(oxidanyl)-2,4,5-tris(oxidanylidene)-1,11a,12,12a-tetrahydrotetracen-1-yl]-trimethyl-azanium iodide
MOLECULAR FORMULA: C23H27IN2O8
MOLECULAR WEIGHT: 586.37355
SMILES: C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)[N+](C)(C)C)O.[I-]
Structure:
CAS RN: 6471-17-6
CAS Name: disodium (3E)-3-[[4-[[4-[(2Z)-2-(3-carboxylato-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]phenyl]thio]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate
OPENEYE Name: disodium (3E)-3-[[4-[4-[(2Z)-2-(3-carboxylato-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]phenyl]sulfanylphenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate
IUPAC Name: disodium (3E)-3-[[4-[4-[(2Z)-2-(3-carboxylato-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]sulfanylphenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate
SYSTEMATIC NAME: disodium (3E)-3-[[4-[4-[(2Z)-2-(3-carboxylato-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]sulfanylphenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate
MOLECULAR FORMULA: C26H16N4Na2O6S
MOLECULAR WEIGHT: 558.47298
SMILES: C1=CC(=CC=C1N/N=C/2\C=CC(=O)C(=C2)C(=O)[O-])SC3=CC=C(C=C3)N/N=C\4/C=CC(=O)C(=C4)C(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 6468-55-9
CAS Name: 1,3,8,9-tetrahydroxy-6-benzofuro[3,2-c][1]benzopyranone
OPENEYE Name: 1,3,8,9-tetrahydroxybenzofuro[3,2-c]chromen-6-one
IUPAC Name: 1,3,8,9-tetrahydroxy-[1]benzofuro[3,2-c]chromen-6-one
SYSTEMATIC NAME: 1,3,8,9-tetrakis(oxidanyl)-[1]benzofuro[3,2-c]chromen-6-one
MOLECULAR FORMULA: C15H8O7
MOLECULAR WEIGHT: 300.21982
SMILES: C1=C(C=C2C(=C1O)C3=C(C4=CC(=C(C=C4O3)O)O)C(=O)O2)O
Structure:
CAS RN: 6460-05-5
CAS Name: sodium (3E)-3-[[4-(dimethylamino)phenyl]-[4-[methyl-[(3-sulfonatophenyl)methyl]amino]phenyl]methylidene]-6-dimethyliminio-1-cyclohexa-1,4-dienesulfonate
OPENEYE Name: sodium (3E)-3-[[4-(dimethylamino)phenyl]-[4-[methyl-[(3-sulfonatophenyl)methyl]amino]phenyl]methylene]-6-dimethyliminio-cyclohexa-1,4-diene-1-sulfonate
IUPAC Name: sodium (3E)-3-[[4-(dimethylamino)phenyl]-[4-[methyl-[(3-sulfonatophenyl)methyl]amino]phenyl]methylidene]-6-dimethylazaniumylidenecyclohexa-1,4-diene-1-sulfonate
SYSTEMATIC NAME: sodium (3E)-3-[[4-(dimethylamino)phenyl]-[4-[methyl-[(3-sulfonatophenyl)methyl]amino]phenyl]methylidene]-6-dimethylazaniumylidene-cyclohexa-1,4-diene-1-sulfonate
MOLECULAR FORMULA: C31H32N3NaO6S2
MOLECULAR WEIGHT: 629.72205
SMILES: CN(C)C1=CC=C(C=C1)/C(=C\2/C=CC(=[N+](C)C)C(=C2)S(=O)(=O)[O-])/C3=CC=C(C=C3)N(C)CC4=CC(=CC=C4)S(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 6410-47-5
CAS Name: disodium (4E)-4-[[3-methyl-4-[4-[[[4-[3-methyl-1-[(2Z)-2-(6-nitro-2-oxo-4-sulfonato-1-naphthalenylidene)hydrazinyl]-5-oxo-4H-pyrazol-4-yl]anilino]-oxomethyl]amino]phenyl]-5-oxo-4H-pyrazol-1-yl]hydrazinylidene]-7-nitro-3-oxo-1-naphthalenesulfonate
OPENEYE Name: disodium (4E)-4-[[3-methyl-4-[4-[[4-[3-methyl-1-[(2Z)-2-(6-nitro-2-oxo-4-sulfonato-1-naphthylidene)hydrazino]-5-oxo-4H-pyrazol-4-yl]phenyl]carbamoylamino]phenyl]-5-oxo-4H-pyrazol-1-yl]hydrazono]-7-nitro-3-oxo-naphthalene-1-sulfonate
IUPAC Name: disodium (4E)-4-[[3-methyl-4-[4-[[4-[3-methyl-1-[(2Z)-2-(6-nitro-2-oxo-4-sulfonatonaphthalen-1-ylidene)hydrazinyl]-5-oxo-4H-pyrazol-4-yl]phenyl]carbamoylamino]phenyl]-5-oxo-4H-pyrazol-1-yl]hydrazinylidene]-7-nitro-3-oxonaphthalene-1-sulfonate
SYSTEMATIC NAME: disodium (4E)-4-[[3-methyl-4-[4-[[4-[3-methyl-1-[(2Z)-2-(6-nitro-2-oxidanylidene-4-sulfonato-naphthalen-1-ylidene)hydrazinyl]-5-oxidanylidene-4H-pyrazol-4-yl]phenyl]carbamoylamino]phenyl]-5-oxidanylidene-4H-pyrazol-1-yl]hydrazinylidene]-7-nitro-3-oxidanyl
MOLECULAR FORMULA: C41H28N12Na2O15S2
MOLECULAR WEIGHT: 1038.84196
SMILES: CC1=NN(C(=O)C1C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4C(=NN(C4=O)N/N=C\5/C6=C(C=C(C=C6)[N+](=O)[O-])C(=CC5=O)S(=O)(=O)[O-])C)N/N=C/7\C8=C(C=C(C=C8)[N+](=O)[O-])C(=CC7=O)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
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