1-(1H-imidazol-3-ium-3-ylsulfanyl)butan-2-one; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(1H-imidazol-3-ium-3-ylsulfanyl)butan-2-one; tris(fluoranyl)methanesulfonate Openeye Name: 1-(1H-imidazol-3-ium-3-ylsulfanyl)butan-2-one; trifluoromethanesulfonate CAS Name: 1-(1H-imidazol-3-ium-3-ylthio)-2-butanone; trifluoromethanesulfonate IUPAC Name: 1-(1H-imidazol-3-ium-3-ylsulfanyl)butan-2-one; trifluoromethanesulfonate Traditional Name: 1-(1H-imidazol-3-ium-3-ylthio)butan-2-one triflate Formula: C8H11F3N2O4S2 MolecularWeight: 320.30915

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CS[N+]1=CNC=C1.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCC(=O)CS[N+]1=CNC=C1.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C7H10N2OS.CHF3O3S/c1-2-7(10)5-11-9-4-3-8-6-9;2-1(3,4)8(5,6)7/h3-4,6H,2,5H2,1H3;(H,5,6,7)