[2-(1-phenylpropyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(1-phenylpropyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(1-phenylpropyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1-phenylpropyl)phenyl] ester IUPAC Name: [2-(1-phenylpropyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(1-phenylpropyl)phenyl] ester Formula: C22H22O3S MolecularWeight: 366.47328

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H22O3S/c1-3-20(18-9-5-4-6-10-18)21-11-7-8-12-22(21)25-26(23,24)19-15-13-17(2)14-16-19/h4-16,20H,3H2,1-2H3