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

Systemtic Name: sodium 4-[(2E)-2-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: sodium 4-[(2E)-2-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]benzenesulfonate CAS Name: sodium 4-[(2E)-2-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]benzenesulfonate IUPAC Name: sodium 4-[(2E)-2-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: sodium 4-[(N'E)-N'-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]besylate Formula: C12H9N2NaO5S MolecularWeight: 316.26503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C=CC(=O)C=C2O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\C=CC(=O)C=C2O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H10N2O5S.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;/h1-7,13,16H,(H,17,18,19);/q;+1/p-1/b14-11+;