4-[(3,4-dimethylphenyl)sulfanylmethyl]benzoic acid

Systemtic Name: 4-[(3,4-dimethylphenyl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(3,4-dimethylphenyl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(3,4-dimethylphenyl)thio]methyl]benzoic acid IUPAC Name: 4-[(3,4-dimethylphenyl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(3,4-dimethylphenyl)thio]methyl]benzoic acid Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC2=CC=C(C=C2)C(=O)O)C

InChI

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