3-phenylbutan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 3-phenylbutan-2-yl 4-methylbenzenesulfonate Openeye Name: (1-methyl-2-phenyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-phenylbutan-2-yl ester IUPAC Name: 3-phenylbutan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methyl-2-phenyl-propyl) ester Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20O3S/c1-13-9-11-17(12-10-13)21(18,19)20-15(3)14(2)16-7-5-4-6-8-16/h4-12,14-15H,1-3H3