3-methyl-4-(2-methylphenyl)sulfanyl-benzoic acid

Systemtic Name: 3-methyl-4-(2-methylphenyl)sulfanyl-benzoic acid Openeye Name: 3-methyl-4-(o-tolylsulfanyl)benzoic acid CAS Name: 3-methyl-4-[(2-methylphenyl)thio]benzoic acid IUPAC Name: 3-methyl-4-(2-methylphenyl)sulfanylbenzoic acid Traditional Name: 3-methyl-4-(o-tolylthio)benzoic acid Formula: C15H14O2S MolecularWeight: 258.33546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(C=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1SC2=C(C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C15H14O2S/c1-10-5-3-4-6-13(10)18-14-8-7-12(15(16)17)9-11(14)2/h3-9H,1-2H3,(H,16,17)