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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl)-di(propan-2-yl)sulfanium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octane-1-sulfonate Openeye Name: (3,3-dimethyl-2-oxo-butyl)-diisopropyl-sulfonium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate CAS Name: (3,3-dimethyl-2-oxobutyl)-di(propan-2-yl)sulfonium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonate IUPAC Name: (3,3-dimethyl-2-oxobutyl)-di(propan-2-yl)sulfanium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate Traditional Name: diisopropyl-(2-keto-3,3-dimethyl-butyl)sulfonium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate Formula: C20H25F17O4S2 MolecularWeight: 716.512954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[S+](CC(=O)C(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

CC(C)[S+](CC(=O)C(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/C12H25OS.C8HF17O3S/c1-9(2)14(10(3)4)8-11(13)12(5,6)7;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/h9-10H,8H2,1-7H3;(H,26,27,28)/q+1;/p-1