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

Systemtic Name: sodium 4-[(2E)-2-(3-cyano-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-methyl-benzenesulfonate Openeye Name: sodium 4-[(2E)-2-(3-cyano-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-3-methyl-benzenesulfonate CAS Name: sodium 4-[(2E)-2-(3-cyano-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-3-methylbenzenesulfonate IUPAC Name: sodium 4-[(2E)-2-(3-cyano-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-3-methylbenzenesulfonate Traditional Name: sodium 4-[(N'E)-N'-(3-cyano-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]-3-methyl-besylate Formula: C14H10N3NaO4S MolecularWeight: 339.30167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)[O-])NN=C2C=CC(=O)C(=C2)C#N.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)[O-])N/N=C/2\C=CC(=O)C(=C2)C#N.[Na+]

InChI

InChI=1S/C14H11N3O4S.Na/c1-9-6-12(22(19,20)21)3-4-13(9)17-16-11-2-5-14(18)10(7-11)8-15;/h2-7,17H,1H3,(H,19,20,21);/q;+1/p-1/b16-11+;