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

Systemtic Name: 1-(1H-imidazol-3-ium-3-ylsulfanyl)propan-2-one; tris(fluoranyl)methanesulfonate Openeye Name: 1-(1H-imidazol-3-ium-3-ylsulfanyl)propan-2-one; trifluoromethanesulfonate CAS Name: 1-(1H-imidazol-3-ium-3-ylthio)-2-propanone; trifluoromethanesulfonate IUPAC Name: 1-(1H-imidazol-3-ium-3-ylsulfanyl)propan-2-one; trifluoromethanesulfonate Traditional Name: 1-(1H-imidazol-3-ium-3-ylthio)acetone triflate Formula: C7H9F3N2O4S2 MolecularWeight: 306.28257

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8N2OS.CHF3O3S/c1-6(9)4-10-8-3-2-7-5-8;2-1(3,4)8(5,6)7/h2-3,5H,4H2,1H3;(H,5,6,7)