[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl] benzoate

Systemtic Name: [4-[(2-methylphenyl)methylsulfanylmethyl]phenyl] benzoate Openeye Name: [4-(o-tolylmethylsulfanylmethyl)phenyl] benzoate CAS Name: benzoic acid [4-[[(2-methylphenyl)methylthio]methyl]phenyl] ester IUPAC Name: [4-[(2-methylphenyl)methylsulfanylmethyl]phenyl] benzoate Traditional Name: benzoic acid [4-[[(2-methylbenzyl)thio]methyl]phenyl] ester Formula: C22H20O2S MolecularWeight: 348.458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CSCC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20O2S/c1-17-7-5-6-10-20(17)16-25-15-18-11-13-21(14-12-18)24-22(23)19-8-3-2-4-9-19/h2-14H,15-16H2,1H3