3-(4-methylphenyl)-3-oxidanylidene-1-phenyl-propane-1-sulfonic acid

Systemtic Name: 3-(4-methylphenyl)-3-oxidanylidene-1-phenyl-propane-1-sulfonic acid Openeye Name: 3-oxo-1-phenyl-3-(p-tolyl)propane-1-sulfonic acid CAS Name: 3-(4-methylphenyl)-3-oxo-1-phenyl-1-propanesulfonic acid IUPAC Name: 3-(4-methylphenyl)-3-oxo-1-phenylpropane-1-sulfonic acid Traditional Name: 3-keto-1-phenyl-3-(p-tolyl)propane-1-sulfonic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2)S(=O)(=O)O

InChI

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