1-butyl-3-methyl-imidazol-3-ium; tris(fluoranyl)methanesulfonate; hexafluorophosphate

Systemtic Name: 1-butyl-3-methyl-imidazol-3-ium; tris(fluoranyl)methanesulfonate; hexafluorophosphate Openeye Name: 1-butyl-3-methyl-imidazol-3-ium; trifluoromethanesulfonate; hexafluorophosphate CAS Name: 1-butyl-3-methylimidazol-3-ium; trifluoromethanesulfonate; hexafluorophosphate IUPAC Name: 1-butyl-3-methylimidazol-3-ium; trifluoromethanesulfonate; hexafluorophosphate Traditional Name: 1-butyl-3-methyl-imidazol-3-ium hexafluorophosphate triflate Formula: C17H30F9N4O3PS MolecularWeight: 572.46949

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)C.CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-].F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCN1C=C[N+](=C1)C.CCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-].F[P-](F)(F)(F)(F)F

InChI

InChI=1S/2C8H15N2.CHF3O3S.F6P/c2*1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)8(5,6)7;1-7(2,3,4,5)6/h2*6-8H,3-5H2,1-2H3;(H,5,6,7);/q2*+1;;-1/p-1