2-[(2E)-2-(1-oxidanylidene-7-phenylazanyl-3-sulfo-naphthalen-2-ylidene)hydrazinyl]benzoic acid

Systemtic Name: 2-[(2E)-2-(1-oxidanylidene-7-phenylazanyl-3-sulfo-naphthalen-2-ylidene)hydrazinyl]benzoic acid Openeye Name: 2-[(2E)-2-(7-anilino-1-oxo-3-sulfo-2-naphthylidene)hydrazino]benzoic acid CAS Name: 2-[(2E)-2-(7-anilino-1-oxo-3-sulfo-2-naphthalenylidene)hydrazinyl]benzoic acid IUPAC Name: 2-[(2E)-2-(7-anilino-1-oxo-3-sulfonaphthalen-2-ylidene)hydrazinyl]benzoic acid Traditional Name: 2-[(N'E)-N'-(7-anilino-1-keto-3-sulfo-2-naphthylidene)hydrazino]benzoic acid Formula: C23H17N3O6S MolecularWeight: 463.46258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(C(=NNC4=CC=CC=C4C(=O)O)C3=O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC3=C(C=C2)C=C(/C(=N/NC4=CC=CC=C4C(=O)O)/C3=O)S(=O)(=O)O

InChI

InChI=1S/C23H17N3O6S/c27-22-18-13-16(24-15-6-2-1-3-7-15)11-10-14(18)12-20(33(30,31)32)21(22)26-25-19-9-5-4-8-17(19)23(28)29/h1-13,24-25H,(H,28,29)(H,30,31,32)/b26-21-