(2,2-dimethyl-3-oxidanylidene-3-phenyl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (2,2-dimethyl-3-oxidanylidene-3-phenyl-propyl) 4-methylbenzenesulfonate Openeye Name: (2,2-dimethyl-3-oxo-3-phenyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,2-dimethyl-3-oxo-3-phenylpropyl) ester IUPAC Name: (2,2-dimethyl-3-oxo-3-phenylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-keto-2,2-dimethyl-3-phenyl-propyl) ester Formula: C18H20O4S MolecularWeight: 332.414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O4S/c1-14-9-11-16(12-10-14)23(20,21)22-13-18(2,3)17(19)15-7-5-4-6-8-15/h4-12H,13H2,1-3H3