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

Systemtic Name: 3-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid Openeye Name: 3-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid CAS Name: 3-methyl-5-[[2-(trifluoromethyl)phenyl]methylthio]benzoic acid IUPAC Name: 3-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid Traditional Name: 3-methyl-5-[[2-(trifluoromethyl)benzyl]thio]benzoic acid Formula: C16H13F3O2S MolecularWeight: 326.33343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)O)SCC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)O)SCC2=CC=CC=C2C(F)(F)F

InChI

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