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

Systemtic Name: 4-(3-butylimidazol-1-ium-1-yl)butane-1-sulfonic acid; tris(fluoranyl)methanesulfonate Openeye Name: 4-(3-butylimidazol-1-ium-1-yl)butane-1-sulfonic acid; trifluoromethanesulfonate CAS Name: 4-(3-butyl-1-imidazol-1-iumyl)-1-butanesulfonic acid; trifluoromethanesulfonate IUPAC Name: 4-(3-butylimidazol-1-ium-1-yl)butane-1-sulfonic acid; trifluoromethanesulfonate Traditional Name: 4-(3-butylimidazol-1-ium-1-yl)butane-1-sulfonic acid triflate Formula: C12H21F3N2O6S2 MolecularWeight: 410.43015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20N2O3S.CHF3O3S/c1-2-3-6-12-8-9-13(11-12)7-4-5-10-17(14,15)16;2-1(3,4)8(5,6)7/h8-9,11H,2-7,10H2,1H3;(H,5,6,7)