phenyl 4-cyclohexa-1,5-dien-1-yl-1,2-diazete-3-sulfonate hydrochloride

Systemtic Name: phenyl 4-cyclohexa-1,5-dien-1-yl-1,2-diazete-3-sulfonate hydrochloride Openeye Name: phenyl 4-cyclohexa-1,5-dien-1-yldiazete-3-sulfonate hydrochloride CAS Name: 4-(1-cyclohexa-1,5-dienyl)-3-diazetesulfonic acid phenyl ester hydrochloride IUPAC Name: phenyl 4-cyclohexa-1,5-dien-1-yldiazete-3-sulfonate hydrochloride Traditional Name: 4-cyclohexa-1,5-dien-1-yldiazete-3-sulfonic acid phenyl ester hydrochloride Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)C2=C(N=N2)S(=O)(=O)OC3=CC=CC=C3.Cl

Isomeric SMILES

C1CC=C(C=C1)C2=C(N=N2)S(=O)(=O)OC3=CC=CC=C3.Cl

InChI

InChI=1S/C14H12N2O3S.ClH/c17-20(18,19-12-9-5-2-6-10-12)14-13(15-16-14)11-7-3-1-4-8-11;/h2-3,5-10H,1,4H2;1H