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

Systemtic Name: 3-(3-methylimidazol-3-ium-1-yl)propane-1-sulfonic acid; tris(fluoranyl)methanesulfonate Openeye Name: 3-(3-methylimidazol-3-ium-1-yl)propane-1-sulfonic acid; trifluoromethanesulfonate CAS Name: 3-(3-methyl-1-imidazol-3-iumyl)-1-propanesulfonic acid; trifluoromethanesulfonate IUPAC Name: 3-(3-methylimidazol-3-ium-1-yl)propane-1-sulfonic acid; trifluoromethanesulfonate Traditional Name: 3-(3-methylimidazol-3-ium-1-yl)propane-1-sulfonic acid triflate Formula: C8H13F3N2O6S2 MolecularWeight: 354.32383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12N2O3S.CHF3O3S/c1-8-4-5-9(7-8)3-2-6-13(10,11)12;2-1(3,4)8(5,6)7/h4-5,7H,2-3,6H2,1H3;(H,5,6,7)