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

Systemtic Name: sodium 3-[(2E)-2-(3-cyano-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-4-methoxy-benzenesulfonate Openeye Name: sodium 3-[(2E)-2-(3-cyano-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-4-methoxy-benzenesulfonate CAS Name: sodium 3-[(2E)-2-(3-cyano-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-4-methoxybenzenesulfonate IUPAC Name: sodium 3-[(2E)-2-(3-cyano-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-4-methoxybenzenesulfonate Traditional Name: sodium 3-[(N'E)-N'-(3-cyano-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]-4-methoxy-besylate Formula: C14H10N3NaO5S MolecularWeight: 355.30107

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)[O-])NN=C2C=CC(=O)C(=C2)C#N.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)[O-])N/N=C/2\C=CC(=O)C(=C2)C#N.[Na+]

InChI

InChI=1S/C14H11N3O5S.Na/c1-22-14-5-3-11(23(19,20)21)7-12(14)17-16-10-2-4-13(18)9(6-10)8-15;/h2-7,17H,1H3,(H,19,20,21);/q;+1/p-1/b16-10+;