1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonate; 2-oxidanylideneheptyl-di(propan-2-yl)sulfanium

Systemtic Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonate; 2-oxidanylideneheptyl-di(propan-2-yl)sulfanium Openeye Name: diisopropyl(2-oxoheptyl)sulfonium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate CAS Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonate; 2-oxoheptyl-di(propan-2-yl)sulfonium IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate; 2-oxoheptyl-di(propan-2-yl)sulfanium Traditional Name: diisopropyl(2-ketoheptyl)sulfonium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate Formula: C21H27F17O4S2 MolecularWeight: 730.539534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H27OS.C8HF17O3S/c1-6-7-8-9-13(14)10-15(11(2)3)12(4)5;9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h11-12H,6-10H2,1-5H3;(H,26,27,28)/q+1;/p-1