4-chloranyl-2-[(2Z)-2-(1-oxidanylidene-5-sulfo-naphthalen-2-ylidene)hydrazinyl]benzoic acid

Systemtic Name: 4-chloranyl-2-[(2Z)-2-(1-oxidanylidene-5-sulfo-naphthalen-2-ylidene)hydrazinyl]benzoic acid Openeye Name: 4-chloro-2-[(2Z)-2-(1-oxo-5-sulfo-2-naphthylidene)hydrazino]benzoic acid CAS Name: 4-chloro-2-[(2Z)-2-(1-oxo-5-sulfo-2-naphthalenylidene)hydrazinyl]benzoic acid IUPAC Name: 4-chloro-2-[(2Z)-2-(1-oxo-5-sulfonaphthalen-2-ylidene)hydrazinyl]benzoic acid Traditional Name: 4-chloro-2-[(N'Z)-N'-(1-keto-5-sulfo-2-naphthylidene)hydrazino]benzoic acid Formula: C17H11ClN2O6S MolecularWeight: 406.79704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=NNC3=C(C=CC(=C3)Cl)C(=O)O)C2=O)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C/C(=N/NC3=C(C=CC(=C3)Cl)C(=O)O)/C2=O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C17H11ClN2O6S/c18-9-4-5-12(17(22)23)14(8-9)20-19-13-7-6-10-11(16(13)21)2-1-3-15(10)27(24,25)26/h1-8,20H,(H,22,23)(H,24,25,26)/b19-13-