2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid CAS Name: 2-[(2-fluorophenyl)methylthio]-5-(trifluoromethylsulfonyl)benzoic acid IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid Traditional Name: 2-[(2-fluorobenzyl)thio]-5-triflyl-benzoic acid Formula: C15H10F4O4S2 MolecularWeight: 394.361113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10F4O4S2/c16-12-4-2-1-3-9(12)8-24-13-6-5-10(7-11(13)14(20)21)25(22,23)15(17,18)19/h1-7H,8H2,(H,20,21)