8-[bis(fluoranyl)methylsulfanyl]-4-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 8-[bis(fluoranyl)methylsulfanyl]-4-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 8-(difluoromethylsulfanyl)-4-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 8-(difluoromethylthio)-4-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 8-(difluoromethylsulfanyl)-4-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 8-(difluoromethylthio)-4-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C12H6F5NO2S MolecularWeight: 323.238556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN=C2C(=C1)SC(F)F)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C(=CN=C2C(=C1)SC(F)F)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H6F5NO2S/c13-11(14)21-7-3-1-2-5-8(12(15,16)17)6(10(19)20)4-18-9(5)7/h1-4,11H,(H,19,20)