4-chloranyl-2-[(2Z)-2-(2-oxidanylidene-6-sulfo-naphthalen-1-ylidene)hydrazinyl]benzoic acid

Systemtic Name: 4-chloranyl-2-[(2Z)-2-(2-oxidanylidene-6-sulfo-naphthalen-1-ylidene)hydrazinyl]benzoic acid Openeye Name: 4-chloro-2-[(2Z)-2-(2-oxo-6-sulfo-1-naphthylidene)hydrazino]benzoic acid CAS Name: 4-chloro-2-[(2Z)-2-(2-oxo-6-sulfo-1-naphthalenylidene)hydrazinyl]benzoic acid IUPAC Name: 4-chloro-2-[(2Z)-2-(2-oxo-6-sulfonaphthalen-1-ylidene)hydrazinyl]benzoic acid Traditional Name: 4-chloro-2-[(N'Z)-N'-(2-keto-6-sulfo-1-naphthylidene)hydrazino]benzoic acid Formula: C17H11ClN2O6S MolecularWeight: 406.79704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=O)C2=NNC3=C(C=CC(=C3)Cl)C(=O)O)C=C1S(=O)(=O)O

Isomeric SMILES

C1=CC\2=C(C=CC(=O)/C2=N\NC3=C(C=CC(=C3)Cl)C(=O)O)C=C1S(=O)(=O)O

InChI

InChI=1S/C17H11ClN2O6S/c18-10-2-4-13(17(22)23)14(8-10)19-20-16-12-5-3-11(27(24,25)26)7-9(12)1-6-15(16)21/h1-8,19H,(H,22,23)(H,24,25,26)/b20-16-