methyl 4-methanoyl-2-(phenylmethyl)-3-sulfanyl-benzoate

Systemtic Name: methyl 4-methanoyl-2-(phenylmethyl)-3-sulfanyl-benzoate Openeye Name: methyl 2-benzyl-4-formyl-3-sulfanyl-benzoate CAS Name: 4-formyl-3-mercapto-2-(phenylmethyl)benzoic acid methyl ester IUPAC Name: methyl 2-benzyl-4-formyl-3-sulfanylbenzoate Traditional Name: 2-benzyl-4-formyl-3-mercapto-benzoic acid methyl ester Formula: C16H14O3S MolecularWeight: 286.34556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1)C=O)S)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1)C=O)S)CC2=CC=CC=C2

InChI

InChI=1S/C16H14O3S/c1-19-16(18)13-8-7-12(10-17)15(20)14(13)9-11-5-3-2-4-6-11/h2-8,10,20H,9H2,1H3