3-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid

Systemtic Name: 3-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid Openeye Name: 3-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid CAS Name: 3-[(2-fluorophenyl)methylthio]-5-(trifluoromethylsulfonyl)benzoic acid IUPAC Name: 3-[(2-fluorophenyl)methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid Traditional Name: 3-[(2-fluorobenzyl)thio]-5-triflyl-benzoic acid Formula: C15H10F4O4S2 MolecularWeight: 394.361113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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