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

Systemtic Name: 1-(1,4-oxathian-4-ium-4-yl)octan-2-one; tris(fluoranyl)methanesulfonate Openeye Name: 1-(1,4-oxathian-4-ium-4-yl)octan-2-one; trifluoromethanesulfonate CAS Name: 1-(1,4-oxathian-4-ium-4-yl)-2-octanone; trifluoromethanesulfonate IUPAC Name: 1-(1,4-oxathian-4-ium-4-yl)octan-2-one; trifluoromethanesulfonate Traditional Name: 1-(1,4-oxathian-4-ium-4-yl)octan-2-one triflate Formula: C13H23F3O5S2 MolecularWeight: 380.44393

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C[S+]1CCOCC1.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC(=O)C[S+]1CCOCC1.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H23O2S.CHF3O3S/c1-2-3-4-5-6-12(13)11-15-9-7-14-8-10-15;2-1(3,4)8(5,6)7/h2-11H2,1H3;(H,5,6,7)/q+1;/p-1