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

Systemtic Name: 3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid Openeye Name: 3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid CAS Name: 3-[[2-(trifluoromethyl)phenyl]methylthio]-5-(trifluoromethylsulfonyl)benzoic acid IUPAC Name: 3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-5-(trifluoromethylsulfonyl)benzoic acid Traditional Name: 3-[[2-(trifluoromethyl)benzyl]thio]-5-triflyl-benzoic acid Formula: C16H10F6O4S2 MolecularWeight: 444.368619

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C16H10F6O4S2/c17-15(18,19)13-4-2-1-3-9(13)8-27-11-5-10(14(23)24)6-12(7-11)28(25,26)16(20,21)22/h1-7H,8H2,(H,23,24)