6-(trifluoromethyloxy)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-(trifluoromethyloxy)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 6-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 6-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 6-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]cinchoninic acid Formula: C18H9F6NO3 MolecularWeight: 401.259379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=C(C=C(C=C3)OC(F)(F)F)C(=C2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=C(C=C(C=C3)OC(F)(F)F)C(=C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C18H9F6NO3/c19-17(20,21)13-4-2-1-3-10(13)15-8-12(16(26)27)11-7-9(28-18(22,23)24)5-6-14(11)25-15/h1-8H,(H,26,27)