3-[(4-methylphenyl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(4-methylphenyl)sulfanylmethyl]benzoic acid Openeye Name: 3-(p-tolylsulfanylmethyl)benzoic acid CAS Name: 3-[[(4-methylphenyl)thio]methyl]benzoic acid IUPAC Name: 3-[(4-methylphenyl)sulfanylmethyl]benzoic acid Traditional Name: 3-[(p-tolylthio)methyl]benzoic acid Formula: C15H14O2S MolecularWeight: 258.33546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14O2S/c1-11-5-7-14(8-6-11)18-10-12-3-2-4-13(9-12)15(16)17/h2-9H,10H2,1H3,(H,16,17)