1-(2,2-dimethyl-1,4-oxathian-4-ium-4-yl)butan-2-one; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(2,2-dimethyl-1,4-oxathian-4-ium-4-yl)butan-2-one; tris(fluoranyl)methanesulfonate Openeye Name: 1-(2,2-dimethyl-1,4-oxathian-4-ium-4-yl)butan-2-one; trifluoromethanesulfonate CAS Name: 1-(2,2-dimethyl-1,4-oxathian-4-ium-4-yl)-2-butanone; trifluoromethanesulfonate IUPAC Name: 1-(2,2-dimethyl-1,4-oxathian-4-ium-4-yl)butan-2-one; trifluoromethanesulfonate Traditional Name: 1-(2,2-dimethyl-1,4-oxathian-4-ium-4-yl)butan-2-one triflate Formula: C11H19F3O5S2 MolecularWeight: 352.39077

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C[S+]1CCOC(C1)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCC(=O)C[S+]1CCOC(C1)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H19O2S.CHF3O3S/c1-4-9(11)7-13-6-5-12-10(2,3)8-13;2-1(3,4)8(5,6)7/h4-8H2,1-3H3;(H,5,6,7)/q+1;/p-1