3-(4-methylphenyl)-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid

Systemtic Name: 3-(4-methylphenyl)-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid Openeye Name: 3-(p-tolyl)-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid CAS Name: 3-(4-methylphenyl)-4-[[2-(trifluoromethyl)phenyl]methylthio]benzoic acid IUPAC Name: 3-(4-methylphenyl)-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid Traditional Name: 3-(p-tolyl)-4-[[2-(trifluoromethyl)benzyl]thio]benzoic acid Formula: C22H17F3O2S MolecularWeight: 402.42939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)O)SCC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)O)SCC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H17F3O2S/c1-14-6-8-15(9-7-14)18-12-16(21(26)27)10-11-20(18)28-13-17-4-2-3-5-19(17)22(23,24)25/h2-12H,13H2,1H3,(H,26,27)