[8-iodanyl-4-methyl-6-(trifluoromethyl)quinolin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [8-iodanyl-4-methyl-6-(trifluoromethyl)quinolin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [8-iodo-4-methyl-6-(trifluoromethyl)-2-quinolyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [8-iodo-4-methyl-6-(trifluoromethyl)-2-quinolinyl] ester IUPAC Name: [8-iodo-4-methyl-6-(trifluoromethyl)quinolin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [8-iodo-4-methyl-6-(trifluoromethyl)-2-quinolyl] ester Formula: C12H6F6INO3S MolecularWeight: 485.140829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C=C(C=C12)C(F)(F)F)I)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC2=C(C=C(C=C12)C(F)(F)F)I)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H6F6INO3S/c1-5-2-9(23-24(21,22)12(16,17)18)20-10-7(5)3-6(4-8(10)19)11(13,14)15/h2-4H,1H3