[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C17H16O5S MolecularWeight: 332.37094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O5S/c1-12-6-8-13(9-7-12)16(18)11-22-17(19)14-4-3-5-15(10-14)23(2,20)21/h3-10H,11H2,1-2H3