sodium phenyl 3-(4-methylphenyl)-3-oxidanylidene-propane-1-sulfonate

Systemtic Name: sodium phenyl 3-(4-methylphenyl)-3-oxidanylidene-propane-1-sulfonate Openeye Name: sodium phenyl 3-oxo-3-(p-tolyl)propane-1-sulfonate CAS Name: sodium 3-(4-methylphenyl)-3-oxo-1-propanesulfonic acid IUPAC Name: sodium phenyl 3-(4-methylphenyl)-3-oxopropane-1-sulfonate Traditional Name: sodium 3-keto-3-(p-tolyl)propane-1-sulfonic acid phenyl ester Formula: C16H16NaO4S+ MolecularWeight: 327.35061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCS(=O)(=O)OC2=CC=CC=C2.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCS(=O)(=O)OC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C16H16O4S.Na/c1-13-7-9-14(10-8-13)16(17)11-12-21(18,19)20-15-5-3-2-4-6-15;/h2-10H,11-12H2,1H3;/q;+1