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

Systemtic Name: 1,3-dimethylimidazol-1-ium-2-carbonitrile; tris(fluoranyl)methanesulfonate Openeye Name: 1,3-dimethylimidazol-1-ium-2-carbonitrile; trifluoromethanesulfonate CAS Name: 1,3-dimethyl-2-imidazol-1-iumcarbonitrile; trifluoromethanesulfonate IUPAC Name: 1,3-dimethylimidazol-1-ium-2-carbonitrile; trifluoromethanesulfonate Traditional Name: 1,3-dimethylimidazol-1-ium-2-carbonitrile triflate Formula: C7H8F3N3O3S MolecularWeight: 271.21693

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1C#N)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CN1C=C[N+](=C1C#N)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C6H8N3.CHF3O3S/c1-8-3-4-9(2)6(8)5-7;2-1(3,4)8(5,6)7/h3-4H,1-2H3;(H,5,6,7)/q+1;/p-1