ethyl 4-[4-methyl-6-(trifluoromethyl)-2-(trifluoromethylsulfonyloxy)quinolin-8-yl]benzoate

Systemtic Name: ethyl 4-[4-methyl-6-(trifluoromethyl)-2-(trifluoromethylsulfonyloxy)quinolin-8-yl]benzoate Openeye Name: ethyl 4-[4-methyl-6-(trifluoromethyl)-2-(trifluoromethylsulfonyloxy)-8-quinolyl]benzoate CAS Name: 4-[4-methyl-6-(trifluoromethyl)-2-(trifluoromethylsulfonyloxy)-8-quinolinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-methyl-6-(trifluoromethyl)-2-(trifluoromethylsulfonyloxy)quinolin-8-yl]benzoate Traditional Name: 4-[4-methyl-6-(trifluoromethyl)-2-triflyloxy-8-quinolyl]benzoic acid ethyl ester Formula: C21H15F6NO5S MolecularWeight: 507.402919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=C3C(=CC(=C2)C(F)(F)F)C(=CC(=N3)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=C3C(=CC(=C2)C(F)(F)F)C(=CC(=N3)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C21H15F6NO5S/c1-3-32-19(29)13-6-4-12(5-7-13)16-10-14(20(22,23)24)9-15-11(2)8-17(28-18(15)16)33-34(30,31)21(25,26)27/h4-10H,3H2,1-2H3