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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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