sulfanyl 3,6-dimethyl-2-(phenylmethyl)benzoate

Systemtic Name: sulfanyl 3,6-dimethyl-2-(phenylmethyl)benzoate Openeye Name: sulfanyl 2-benzyl-3,6-dimethyl-benzoate CAS Name: 3,6-dimethyl-2-(phenylmethyl)benzoic acid mercapto ester IUPAC Name: sulfanyl 2-benzyl-3,6-dimethylbenzoate Traditional Name: 2-benzyl-3,6-dimethyl-benzoic acid mercapto ester Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)C(=O)OS)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(C=C1)C)C(=O)OS)CC2=CC=CC=C2

InChI

InChI=1S/C16H16O2S/c1-11-8-9-12(2)15(16(17)18-19)14(11)10-13-6-4-3-5-7-13/h3-9,19H,10H2,1-2H3