[2-methyl-1-(2-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-methyl-1-(2-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1,1-dimethyl-2-(o-tolyl)-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methyl-1-(2-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [2-methyl-1-(2-methylphenyl)-1-oxopropan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-1,1-dimethyl-2-(o-tolyl)ethyl] ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)(C)C(=O)C2=CC=CC=C2C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)(C)C(=O)C2=CC=CC=C2C

InChI

InChI=1S/C18H20O4S/c1-13-9-11-15(12-10-13)23(20,21)22-18(3,4)17(19)16-8-6-5-7-14(16)2/h5-12H,1-4H3