3-[(3-chlorophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid

Systemtic Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid Openeye Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid CAS Name: 3-[(3-chlorophenyl)methylthio]-5-(trifluoromethylsulfonyl)benzoic acid IUPAC Name: 3-[(3-chlorophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid Traditional Name: 3-[(3-chlorobenzyl)thio]-5-triflyl-benzoic acid Formula: C15H10ClF3O4S2 MolecularWeight: 410.81571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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