3-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid Openeye Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid CAS Name: 3-[(4-chlorophenyl)methylthio]-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)benzoic acid Traditional Name: 3-[(4-chlorobenzyl)thio]-5-(trifluoromethyl)benzoic acid Formula: C15H10ClF3O2S MolecularWeight: 346.75191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=CC(=CC(=C2)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=CC(=CC(=C2)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C15H10ClF3O2S/c16-12-3-1-9(2-4-12)8-22-13-6-10(14(20)21)5-11(7-13)15(17,18)19/h1-7H,8H2,(H,20,21)