3-[(2-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-[(2-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid Openeye Name: 3-(o-tolylmethylsulfanyl)-5-(trifluoromethyl)benzoic acid CAS Name: 3-[(2-methylphenyl)methylthio]-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-[(2-methylphenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid Traditional Name: 3-[(2-methylbenzyl)thio]-5-(trifluoromethyl)benzoic acid Formula: C16H13F3O2S MolecularWeight: 326.33343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3O2S/c1-10-4-2-3-5-11(10)9-22-14-7-12(15(20)21)6-13(8-14)16(17,18)19/h2-8H,9H2,1H3,(H,20,21)