[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenyl-propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-methyl-2-oxo-2-phenyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-1-oxo-1-phenylpropan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-phenylpropan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-2-keto-1-methyl-2-phenyl-ethyl] ester Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16O4S/c1-12-8-10-15(11-9-12)21(18,19)20-13(2)16(17)14-6-4-3-5-7-14/h3-11,13H,1-2H3/t13-/m1/s1