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

Systemtic Name: 1-(1,4-oxathian-4-ium-4-yl)heptan-2-one; tris(fluoranyl)methanesulfonate Openeye Name: 1-(1,4-oxathian-4-ium-4-yl)heptan-2-one; trifluoromethanesulfonate CAS Name: 1-(1,4-oxathian-4-ium-4-yl)-2-heptanone; trifluoromethanesulfonate IUPAC Name: 1-(1,4-oxathian-4-ium-4-yl)heptan-2-one; trifluoromethanesulfonate Traditional Name: 1-(1,4-oxathian-4-ium-4-yl)heptan-2-one triflate Formula: C12H21F3O5S2 MolecularWeight: 366.41735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21O2S.CHF3O3S/c1-2-3-4-5-11(12)10-14-8-6-13-7-9-14;2-1(3,4)8(5,6)7/h2-10H2,1H3;(H,5,6,7)/q+1;/p-1