2-[(3,5-dimethylphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]benzoic acid Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]benzoic acid CAS Name: 2-[(3,5-dimethylphenyl)methylthio]benzoic acid IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]benzoic acid Traditional Name: 2-[(3,5-dimethylbenzyl)thio]benzoic acid Formula: C16H16O2S MolecularWeight: 272.36204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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