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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)O

InChI

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