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

Systemtic Name: 4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid; tris(fluoranyl)methanesulfonate Openeye Name: 4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid; trifluoromethanesulfonate CAS Name: 4-(3-methyl-1-imidazol-3-iumyl)-1-butanesulfonic acid; trifluoromethanesulfonate IUPAC Name: 4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid; trifluoromethanesulfonate Traditional Name: 4-(3-methylimidazol-3-ium-1-yl)butane-1-sulfonic acid triflate Formula: C9H15F3N2O6S2 MolecularWeight: 368.35041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14N2O3S.CHF3O3S/c1-9-5-6-10(8-9)4-2-3-7-14(11,12)13;2-1(3,4)8(5,6)7/h5-6,8H,2-4,7H2,1H3;(H,5,6,7)