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

Systemtic Name: tert-butyl-methyl-(2-oxidanylidenepentyl)sulfanium; 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate Openeye Name: tert-butyl-methyl-(2-oxopentyl)sulfonium; 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate CAS Name: tert-butyl-methyl-(2-oxopentyl)sulfonium; 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate IUPAC Name: tert-butyl-methyl-(2-oxopentyl)sulfanium; 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate Traditional Name: tert-butyl-(2-ketopentyl)-methyl-sulfonium; 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate Formula: C14H21F9O4S2 MolecularWeight: 488.429769

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=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

CCCC(=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/C10H21OS.C4HF9O3S/c1-6-7-9(11)8-12(5)10(2,3)4;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h6-8H2,1-5H3;(H,14,15,16)/q+1;/p-1