3-[(3,4-dimethylphenyl)sulfanylmethyl]benzoate

Systemtic Name: 3-[(3,4-dimethylphenyl)sulfanylmethyl]benzoate Openeye Name: 3-[(3,4-dimethylphenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(3,4-dimethylphenyl)thio]methyl]benzoate IUPAC Name: 3-[(3,4-dimethylphenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(3,4-dimethylphenyl)thio]methyl]benzoate Formula: C16H15O2S- MolecularWeight: 271.3541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC2=CC=CC(=C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC2=CC=CC(=C2)C(=O)[O-])C

InChI

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