(3,3-dimethyl-2-oxidanylidene-butyl)-dimethyl-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)-dimethyl-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)-dimethyl-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)-dimethylsulfonium; 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)-dimethylsulfanium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate Traditional Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate; (2-keto-3,3-dimethyl-butyl)-dimethyl-sulfonium Formula: C16H17F17O4S2 MolecularWeight: 660.406634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[S+](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)(C)C(=O)C[S+](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/C8HF17O3S.C8H17OS/c9-1(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;1-8(2,3)7(9)6-10(4)5/h(H,26,27,28);6H2,1-5H3/q;+1/p-1