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

Systemtic Name: sodium 4-[(2E)-2-(3-cyano-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: sodium 4-[(2E)-2-(3-cyano-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]benzenesulfonate CAS Name: sodium 4-[(2E)-2-(3-cyano-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzenesulfonate IUPAC Name: sodium 4-[(2E)-2-(3-cyano-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: sodium 4-[(N'E)-N'-(3-cyano-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]besylate Formula: C13H8N3NaO4S MolecularWeight: 325.27509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O4S.Na/c14-8-9-7-11(3-6-13(9)17)16-15-10-1-4-12(5-2-10)21(18,19)20;/h1-7,15H,(H,18,19,20);/q;+1/p-1/b16-11+;