1-phenylpropan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1-phenylpropan-2-yl 4-methylbenzenesulfonate Openeye Name: (1-methyl-2-phenyl-ethyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-phenylpropan-2-yl ester IUPAC Name: 1-phenylpropan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methyl-2-phenyl-ethyl) 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)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC2=CC=CC=C2

InChI

InChI=1S/C16H18O3S/c1-13-8-10-16(11-9-13)20(17,18)19-14(2)12-15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3