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

Systemtic Name: sodium 4-[(2Z)-2-(3-carboxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: sodium 4-[(2Z)-2-(3-carboxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]benzenesulfonate CAS Name: sodium 4-[(2Z)-2-(3-carboxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzenesulfonate IUPAC Name: sodium 4-[(2Z)-2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: sodium 4-[(N'Z)-N'-(3-carboxy-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]besylate Formula: C13H9N2NaO6S MolecularWeight: 344.27513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C=CC(=O)C(=C2)C(=O)O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C\2/C=CC(=O)C(=C2)C(=O)O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H10N2O6S.Na/c16-12-6-3-9(7-11(12)13(17)18)15-14-8-1-4-10(5-2-8)22(19,20)21;/h1-7,14H,(H,17,18)(H,19,20,21);/q;+1/p-1/b15-9-;