tert-butyl-methyl-(2-oxidanylideneheptyl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: tert-butyl-methyl-(2-oxidanylideneheptyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: tert-butyl-methyl-(2-oxoheptyl)sulfonium; trifluoromethanesulfonate CAS Name: tert-butyl-methyl-(2-oxoheptyl)sulfonium; trifluoromethanesulfonate IUPAC Name: tert-butyl-methyl-(2-oxoheptyl)sulfanium; trifluoromethanesulfonate Traditional Name: tert-butyl-(2-ketoheptyl)-methyl-sulfonium triflate Formula: C13H25F3O4S2 MolecularWeight: 366.46041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25OS.CHF3O3S/c1-6-7-8-9-11(13)10-14(5)12(2,3)4;2-1(3,4)8(5,6)7/h6-10H2,1-5H3;(H,5,6,7)/q+1;/p-1