1-(thian-1-ium-2-yl)butan-1-one; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(thian-1-ium-2-yl)butan-1-one; tris(fluoranyl)methanesulfonate Openeye Name: 1-tetrahydrothiopyran-1-ium-2-ylbutan-1-one; trifluoromethanesulfonate CAS Name: 1-(2-thian-1-iumyl)-1-butanone; trifluoromethanesulfonate IUPAC Name: 1-(thian-1-ium-2-yl)butan-1-one; trifluoromethanesulfonate Traditional Name: 1-tetrahydrothiopyran-1-ium-2-ylbutan-1-one triflate Formula: C10H17F3O4S2 MolecularWeight: 322.36479

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1CCCC[SH+]1.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCC(=O)C1CCCC[SH+]1.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C9H16OS.CHF3O3S/c1-2-5-8(10)9-6-3-4-7-11-9;2-1(3,4)8(5,6)7/h9H,2-7H2,1H3;(H,5,6,7)