cyclohexyl-methyl-(2-oxidanylidenehexyl)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: cyclohexyl-methyl-(2-oxidanylidenehexyl)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: cyclohexyl-methyl-(2-oxohexyl)sulfonium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate CAS Name: cyclohexyl-methyl-(2-oxohexyl)sulfonium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonate IUPAC Name: cyclohexyl-methyl-(2-oxohexyl)sulfanium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate Traditional Name: cyclohexyl-(2-ketohexyl)-methyl-sulfonium; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate Formula: C21H25F17O4S2 MolecularWeight: 728.523654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C[S+](C)C1CCCCC1.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

CCCCC(=O)C[S+](C)C1CCCCC1.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/C13H25OS.C8HF17O3S/c1-3-4-8-12(14)11-15(2)13-9-6-5-7-10-13;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/h13H,3-11H2,1-2H3;(H,26,27,28)/q+1;/p-1