4-(3-hexylimidazol-3-ium-1-yl)butane-1-sulfonic acid; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-(3-hexylimidazol-3-ium-1-yl)butane-1-sulfonic acid; tris(fluoranyl)methanesulfonate Openeye Name: 4-(3-hexylimidazol-3-ium-1-yl)butane-1-sulfonic acid; trifluoromethanesulfonate CAS Name: 4-(3-hexyl-1-imidazol-3-iumyl)-1-butanesulfonic acid; trifluoromethanesulfonate IUPAC Name: 4-(3-hexylimidazol-3-ium-1-yl)butane-1-sulfonic acid; trifluoromethanesulfonate Traditional Name: 4-(3-hexylimidazol-3-ium-1-yl)butane-1-sulfonic acid triflate Formula: C14H25F3N2O6S2 MolecularWeight: 438.48331

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=CN(C=C1)CCCCS(=O)(=O)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCC[N+]1=CN(C=C1)CCCCS(=O)(=O)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H24N2O3S.CHF3O3S/c1-2-3-4-5-8-14-10-11-15(13-14)9-6-7-12-19(16,17)18;2-1(3,4)8(5,6)7/h10-11,13H,2-9,12H2,1H3;(H,5,6,7)