2-phenylpropan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 2-phenylpropan-2-yl 4-methylbenzenesulfonate Openeye Name: (1-methyl-1-phenyl-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-phenylpropan-2-yl ester IUPAC Name: 2-phenylpropan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid cumyl ester Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O3S/c1-13-9-11-15(12-10-13)20(17,18)19-16(2,3)14-7-5-4-6-8-14/h4-12H,1-3H3