(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl) 4-methylbenzenesulfonate Openeye Name: (1,1-dimethyl-2-oxo-2-phenyl-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-methyl-1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (2-methyl-1-oxo-1-phenylpropan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-1,1-dimethyl-2-phenyl-ethyl) ester Formula: C17H18O4S MolecularWeight: 318.38742

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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=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H18O4S/c1-13-9-11-15(12-10-13)22(19,20)21-17(2,3)16(18)14-7-5-4-6-8-14/h4-12H,1-3H3