[(3S)-3-(4-methylphenyl)butyl] 4-methylbenzenesulfonate

Systemtic Name: [(3S)-3-(4-methylphenyl)butyl] 4-methylbenzenesulfonate Openeye Name: [(3S)-3-(p-tolyl)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S)-3-(4-methylphenyl)butyl] ester IUPAC Name: [(3S)-3-(4-methylphenyl)butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S)-3-(p-tolyl)butyl] ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)CCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C)CCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H22O3S/c1-14-4-8-17(9-5-14)16(3)12-13-21-22(19,20)18-10-6-15(2)7-11-18/h4-11,16H,12-13H2,1-3H3/t16-/m0/s1