[4-methyl-2-(phenylmethyl)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-methyl-2-(phenylmethyl)phenyl] 4-methylbenzenesulfonate Openeye Name: (2-benzyl-4-methyl-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-methyl-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-methylphenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-benzyl-4-methyl-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=C(C=C(C=C2)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H20O3S/c1-16-8-11-20(12-9-16)25(22,23)24-21-13-10-17(2)14-19(21)15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3