1-(3,3-dimethylthiolan-1-ium-2-yl)butan-1-one; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(3,3-dimethylthiolan-1-ium-2-yl)butan-1-one; tris(fluoranyl)methanesulfonate Openeye Name: 1-(3,3-dimethyltetrahydrothiophen-1-ium-2-yl)butan-1-one; trifluoromethanesulfonate CAS Name: 1-(3,3-dimethyl-2-thiolan-1-iumyl)-1-butanone; trifluoromethanesulfonate IUPAC Name: 1-(3,3-dimethylthiolan-1-ium-2-yl)butan-1-one; trifluoromethanesulfonate Traditional Name: 1-(3,3-dimethyltetrahydrothiophen-1-ium-2-yl)butan-1-one triflate Formula: C11H19F3O4S2 MolecularWeight: 336.39137

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(CC[SH+]1)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCC(=O)C1C(CC[SH+]1)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H18OS.CHF3O3S/c1-4-5-8(11)9-10(2,3)6-7-12-9;2-1(3,4)8(5,6)7/h9H,4-7H2,1-3H3;(H,5,6,7)