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

Systemtic Name: 8-[bis(fluoranyl)methylsulfanyl]-4-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: 8-(difluoromethylsulfanyl)-4-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 8-(difluoromethylthio)-4-(trifluoromethyl)-3-quinolinecarboxylate IUPAC Name: 8-(difluoromethylsulfanyl)-4-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 8-(difluoromethylthio)-4-(trifluoromethyl)quinoline-3-carboxylate Formula: C12H5F5NO2S- MolecularWeight: 322.230616

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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)/p-1