2-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid CAS Name: 2-[(4-chlorophenyl)methylthio]-5-(trifluoromethylsulfonyl)benzoic acid IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid Traditional Name: 2-[(4-chlorobenzyl)thio]-5-triflyl-benzoic acid Formula: C15H10ClF3O4S2 MolecularWeight: 410.81571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10ClF3O4S2/c16-10-3-1-9(2-4-10)8-24-13-6-5-11(7-12(13)14(20)21)25(22,23)15(17,18)19/h1-7H,8H2,(H,20,21)