2-oxidanylidenehexyl-di(propan-2-yl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-oxidanylidenehexyl-di(propan-2-yl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: diisopropyl(2-oxohexyl)sulfonium; trifluoromethanesulfonate CAS Name: 2-oxohexyl-di(propan-2-yl)sulfonium; trifluoromethanesulfonate IUPAC Name: 2-oxohexyl-di(propan-2-yl)sulfanium; trifluoromethanesulfonate Traditional Name: diisopropyl(2-ketohexyl)sulfonium triflate Formula: C13H25F3O4S2 MolecularWeight: 366.46041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C[S+](C(C)C)C(C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC(=O)C[S+](C(C)C)C(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H25OS.CHF3O3S/c1-6-7-8-12(13)9-14(10(2)3)11(4)5;2-1(3,4)8(5,6)7/h10-11H,6-9H2,1-5H3;(H,5,6,7)/q+1;/p-1