2-[[(Z)-C-[3-[2-(4-aminophenyl)hydrazinyl]phenyl]-N-[(Z)-(6-oxidanylidene-3,5-disulfo-cyclohexa-2,4-dien-1-ylidene)amino]carbonimidoyl]diazenyl]-4-sulfo-benzoic acid

Systemtic Name: 2-[[(Z)-C-[3-[2-(4-aminophenyl)hydrazinyl]phenyl]-N-[(Z)-(6-oxidanylidene-3,5-disulfo-cyclohexa-2,4-dien-1-ylidene)amino]carbonimidoyl]diazenyl]-4-sulfo-benzoic acid Openeye Name: 2-[(Z)-C-[3-[2-(4-aminophenyl)hydrazino]phenyl]-N-[(Z)-(6-oxo-3,5-disulfo-cyclohexa-2,4-dien-1-ylidene)amino]carbonimidoyl]azo-4-sulfo-benzoic acid CAS Name: 2-[(Z)-[3-[(4-aminophenyl)hydrazo]phenyl]-[(Z)-(6-oxo-3,5-disulfo-1-cyclohexa-2,4-dienylidene)hydrazinylidene]methyl]azo-4-sulfobenzoic acid IUPAC Name: 2-[[(Z)-C-[3-[2-(4-aminophenyl)hydrazinyl]phenyl]-N-[(Z)-(6-oxo-3,5-disulfocyclohexa-2,4-dien-1-ylidene)amino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid Traditional Name: 2-[(Z)-C-[3-[N'-(4-aminophenyl)hydrazino]phenyl]-N-[(Z)-(6-keto-3,5-disulfo-cyclohexa-2,4-dien-1-ylidene)amino]carbonimidoyl]azo-4-sulfo-benzoic acid Formula: C26H21N7O12S3 MolecularWeight: 719.67964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NNC2=CC=C(C=C2)N)C(=NN=C3C=C(C=C(C3=O)S(=O)(=O)O)S(=O)(=O)O)N=NC4=C(C=CC(=C4)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NNC2=CC=C(C=C2)N)/C(=N/N=C\3/C=C(C=C(C3=O)S(=O)(=O)O)S(=O)(=O)O)/N=NC4=C(C=CC(=C4)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C26H21N7O12S3/c27-15-4-6-16(7-5-15)28-29-17-3-1-2-14(10-17)25(32-30-21-11-18(46(37,38)39)8-9-20(21)26(35)36)33-31-22-12-19(47(40,41)42)13-23(24(22)34)48(43,44)45/h1-13,28-29H,27H2,(H,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)/b31-22-,32-30?,33-25-