sodium 4-[(2E)-2-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonate

Systemtic Name: sodium 4-[(2E)-2-(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonate Openeye Name: sodium 4-[(2E)-2-(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]benzenesulfonate CAS Name: sodium 4-[(2E)-2-(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]benzenesulfonate IUPAC Name: sodium 4-[(2E)-2-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]benzenesulfonate Traditional Name: sodium 4-[(N'E)-N'-(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)hydrazino]besylate Formula: C12H8ClN2NaO4S MolecularWeight: 334.71069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C=C(C=CC2=O)Cl)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C/2\C=C(C=CC2=O)Cl)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H9ClN2O4S.Na/c13-8-1-6-12(16)11(7-8)15-14-9-2-4-10(5-3-9)20(17,18)19;/h1-7,14H,(H,17,18,19);/q;+1/p-1/b15-11+;