4-[(2-methylphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(2-methylphenyl)methylsulfanyl]benzoic acid Openeye Name: 4-(o-tolylmethylsulfanyl)benzoic acid CAS Name: 4-[(2-methylphenyl)methylthio]benzoic acid IUPAC Name: 4-[(2-methylphenyl)methylsulfanyl]benzoic acid Traditional Name: 4-[(2-methylbenzyl)thio]benzoic acid Formula: C15H14O2S MolecularWeight: 258.33546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CSC2=CC=C(C=C2)C(=O)O

InChI

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