sodium 4-[(2E)-2-(3-carboxy-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate

Systemtic Name: sodium 4-[(2E)-2-(3-carboxy-5-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: sodium 4-[(2E)-2-(3-carboxy-5-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]benzenesulfonate CAS Name: sodium 4-[(2E)-2-(3-carboxy-5-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzenesulfonate IUPAC Name: sodium 4-[(2E)-2-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: sodium 4-[(N'E)-N'-(3-carboxy-4-keto-5-methyl-cyclohexa-2,5-dien-1-ylidene)hydrazino]besylate Formula: C14H11N2NaO6S MolecularWeight: 358.30171

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NNC2=CC=C(C=C2)S(=O)(=O)[O-])C=C(C1=O)C(=O)O.[Na+]

Isomeric SMILES

CC1=C/C(=N\NC2=CC=C(C=C2)S(=O)(=O)[O-])/C=C(C1=O)C(=O)O.[Na+]

InChI

InChI=1S/C14H12N2O6S.Na/c1-8-6-10(7-12(13(8)17)14(18)19)16-15-9-2-4-11(5-3-9)23(20,21)22;/h2-7,15H,1H3,(H,18,19)(H,20,21,22);/q;+1/p-1/b16-10+;