phenyl 1,3-dimethylimidazol-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: phenyl 1,3-dimethylimidazol-1-ium-2-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: phenyl 1,3-dimethylimidazol-1-ium-2-carboxylate; trifluoromethanesulfonate CAS Name: 1,3-dimethyl-2-imidazol-1-iumcarboxylic acid phenyl ester; trifluoromethanesulfonate IUPAC Name: phenyl 1,3-dimethylimidazol-1-ium-2-carboxylate; trifluoromethanesulfonate Traditional Name: 1,3-dimethylimidazol-1-ium-2-carboxylic acid phenyl ester triflate Formula: C13H13F3N2O5S MolecularWeight: 366.31293

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1C(=O)OC2=CC=CC=C2)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CN1C=C[N+](=C1C(=O)OC2=CC=CC=C2)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H13N2O2.CHF3O3S/c1-13-8-9-14(2)11(13)12(15)16-10-6-4-3-5-7-10;2-1(3,4)8(5,6)7/h3-9H,1-2H3;(H,5,6,7)/q+1;/p-1