dimethyl 1-fluoranylpyridin-1-ium-2,6-dicarboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: dimethyl 1-fluoranylpyridin-1-ium-2,6-dicarboxylate; tris(fluoranyl)methanesulfonate Openeye Name: dimethyl 1-fluoropyridin-1-ium-2,6-dicarboxylate; trifluoromethanesulfonate CAS Name: 1-fluoropyridin-1-ium-2,6-dicarboxylic acid dimethyl ester; trifluoromethanesulfonate IUPAC Name: dimethyl 1-fluoropyridin-1-ium-2,6-dicarboxylate; trifluoromethanesulfonate Traditional Name: 1-fluoropyridin-1-ium-2,6-dicarboxylic acid dimethyl ester triflate Formula: C10H9F4NO7S MolecularWeight: 363.239573

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=[N+](C(=CC=C1)C(=O)OC)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC(=O)C1=[N+](C(=CC=C1)C(=O)OC)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C9H9FNO4.CHF3O3S/c1-14-8(12)6-4-3-5-7(11(6)10)9(13)15-2;2-1(3,4)8(5,6)7/h3-5H,1-2H3;(H,5,6,7)/q+1;/p-1