[1-methyl-4-oxidanylidene-7-[2,2,2-tris(fluoranyl)ethoxy]quinolin-3-yl] methanesulfonate

Systemtic Name: [1-methyl-4-oxidanylidene-7-[2,2,2-tris(fluoranyl)ethoxy]quinolin-3-yl] methanesulfonate Openeye Name: [1-methyl-4-oxo-7-(2,2,2-trifluoroethoxy)-3-quinolyl] methanesulfonate CAS Name: methanesulfonic acid [1-methyl-4-oxo-7-(2,2,2-trifluoroethoxy)-3-quinolinyl] ester IUPAC Name: [1-methyl-4-oxo-7-(2,2,2-trifluoroethoxy)quinolin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-keto-1-methyl-7-(2,2,2-trifluoroethoxy)-3-quinolyl] ester Formula: C13H12F3NO5S MolecularWeight: 351.29829

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=C(C=C2)OCC(F)(F)F)OS(=O)(=O)C

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=C(C=C2)OCC(F)(F)F)OS(=O)(=O)C

InChI

InChI=1S/C13H12F3NO5S/c1-17-6-11(22-23(2,19)20)12(18)9-4-3-8(5-10(9)17)21-7-13(14,15)16/h3-6H,7H2,1-2H3