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1-[(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)sulfanyl]propan-2-one; tris(fluoranyl)methanesulfonate

1-[(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)sulfanyl]propan-2-one; tris(fluoranyl)methanesulfonate

Systemtic Name:1-[(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)sulfanyl]propan-2-one; tris(fluoranyl)methanesulfonate
Openeye Name:1-[(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)sulfanyl]propan-2-one; trifluoromethanesulfonate
CAS Name:1-[(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)thio]-2-propanone; trifluoromethanesulfonate
IUPAC Name:1-[(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)sulfanyl]propan-2-one; trifluoromethanesulfonate
Traditional Name:1-[(1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium-2-yl)thio]acetone triflate
Formula: C13H17F3N2O4S2
MolecularWeight: 386.41029
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1[NH+](C2=CC=CC=C2N1C)C.C(F)(F)(F)S(=O)(=O)[O-]


Isomeric SMILES

CC(=O)CSC1[NH+](C2=CC=CC=C2N1C)C.C(F)(F)(F)S(=O)(=O)[O-]


InChI

InChI=1S/C12H16N2OS.CHF3O3S/c1-9(15)8-16-12-13(2)10-6-4-5-7-11(10)14(12)3;2-1(3,4)8(5,6)7/h4-7,12H,8H2,1-3H3;(H,5,6,7)


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