(phenylmethyl) 3-(phenylmethylsulfanyl)benzoate

Systemtic Name: (phenylmethyl) 3-(phenylmethylsulfanyl)benzoate Openeye Name: benzyl 3-benzylsulfanylbenzoate CAS Name: 3-(phenylmethylthio)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-benzylsulfanylbenzoate Traditional Name: 3-(benzylthio)benzoic acid benzyl ester Formula: C21H18O2S MolecularWeight: 334.43142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H18O2S/c22-21(23-15-17-8-3-1-4-9-17)19-12-7-13-20(14-19)24-16-18-10-5-2-6-11-18/h1-14H,15-16H2