2-[(2Z)-2-(1-azanyl-8-oxidanylidene-4-sulfo-naphthalen-2-ylidene)hydrazinyl]-5-[4-[(4-azanyl-5-oxidanyl-1-sulfo-naphthalen-2-yl)diazenyl]-3-carboxy-phenyl]benzoic acid

Systemtic Name: 2-[(2Z)-2-(1-azanyl-8-oxidanylidene-4-sulfo-naphthalen-2-ylidene)hydrazinyl]-5-[4-[(4-azanyl-5-oxidanyl-1-sulfo-naphthalen-2-yl)diazenyl]-3-carboxy-phenyl]benzoic acid Openeye Name: 5-[4-[(4-amino-5-hydroxy-1-sulfo-2-naphthyl)azo]-3-carboxy-phenyl]-2-[(2Z)-2-(1-amino-8-oxo-4-sulfo-2-naphthylidene)hydrazino]benzoic acid CAS Name: 5-[4-[(4-amino-5-hydroxy-1-sulfo-2-naphthalenyl)azo]-3-carboxyphenyl]-2-[(2Z)-2-(1-amino-8-oxo-4-sulfo-2-naphthalenylidene)hydrazinyl]benzoic acid IUPAC Name: 5-[4-[(4-amino-5-hydroxy-1-sulfonaphthalen-2-yl)diazenyl]-3-carboxyphenyl]-2-[(2Z)-2-(1-amino-8-oxo-4-sulfonaphthalen-2-ylidene)hydrazinyl]benzoic acid Traditional Name: 5-[4-[(4-amino-5-hydroxy-1-sulfo-2-naphthyl)azo]-3-carboxy-phenyl]-2-[(N'Z)-N'-(1-amino-8-keto-4-sulfo-2-naphthylidene)hydrazino]benzoic acid Formula: C34H24N6O12S2 MolecularWeight: 772.71736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CC(=C2C(=C1)O)N)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)NN=C5C=C(C6=CC=CC(=O)C6=C5N)S(=O)(=O)O)C(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C(=CC(=C2C(=C1)O)N)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)N/N=C\5/C=C(C6=CC=CC(=O)C6=C5N)S(=O)(=O)O)C(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C34H24N6O12S2/c35-21-13-25(32(54(50,51)52)18-4-2-5-26(41)29(18)21)40-38-23-10-8-16(12-20(23)34(45)46)15-7-9-22(19(11-15)33(43)44)37-39-24-14-28(53(47,48)49)17-3-1-6-27(42)30(17)31(24)36/h1-14,37,41H,35-36H2,(H,43,44)(H,45,46)(H,47,48,49)(H,50,51,52)/b39-24-,40-38?