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

Systemtic Name: 3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid Openeye Name: 3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid CAS Name: 3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methylthio]benzoic acid IUPAC Name: 3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid Traditional Name: 3-(trifluoromethyl)-5-[[3-(trifluoromethyl)benzyl]thio]benzoic acid Formula: C16H10F6O2S MolecularWeight: 380.304819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CSC2=CC(=CC(=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CSC2=CC(=CC(=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H10F6O2S/c17-15(18,19)11-3-1-2-9(4-11)8-25-13-6-10(14(23)24)5-12(7-13)16(20,21)22/h1-7H,8H2,(H,23,24)