[4-(1-phenylethyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(1-phenylethyl)phenyl] 4-methylbenzenesulfonate Openeye Name: [4-(1-phenylethyl)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(1-phenylethyl)phenyl] ester IUPAC Name: [4-(1-phenylethyl)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(1-phenylethyl)phenyl] ester Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C)C3=CC=CC=C3

InChI

InChI=1S/C21H20O3S/c1-16-8-14-21(15-9-16)25(22,23)24-20-12-10-19(11-13-20)17(2)18-6-4-3-5-7-18/h3-15,17H,1-2H3