tert-butyl-methyl-(2-oxidanylidenebutyl)sulfanium; 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate

Systemtic Name: tert-butyl-methyl-(2-oxidanylidenebutyl)sulfanium; 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate Openeye Name: tert-butyl-methyl-(2-oxobutyl)sulfonium; 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate CAS Name: tert-butyl-methyl-(2-oxobutyl)sulfonium; 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate IUPAC Name: tert-butyl-methyl-(2-oxobutyl)sulfanium; 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate Traditional Name: tert-butyl-(2-ketobutyl)-methyl-sulfonium; 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate Formula: C13H19F9O4S2 MolecularWeight: 474.403189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H19OS.C4HF9O3S/c1-6-8(10)7-11(5)9(2,3)4;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h6-7H2,1-5H3;(H,14,15,16)/q+1;/p-1