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CHEBI:48456 - triphenylsulfonium 4-hydroxy-1-adamantyloxycarbonyldifluoromethanesulfonate

ChEBI IDCHEBI:48456
ChEBI Nametriphenylsulfonium 4-hydroxy-1-adamantyloxycarbonyldifluoromethanesulfonate
Stars
Last Modified31 March 2014
Submitterhcourrier
DownloadsMolfile
FormulaC12H15F2O6S.C18H15S
Net Charge0
Average Mass588.694
Monoisotopic Mass588.14519
SMILESO=C(OC12CC3CC(C1)C(O)C(C3)C2)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15S.C12H16F2O6S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;13-12(14,21(17,18)19)10(16)20-11-3-6-1-7(4-11)9(15)8(2-6)5-11/h1-15H;6-9,15H,1-5H2,(H,17,18,19)/q+1;/p-1
InChIKeyMKWXXVNEIXBTMB-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
triphenylsulfonium 4-hydroxy-1-adamantyloxycarbonyldifluoromethanesulfonate (CHEBI:48456) has functional parent adamantane-1,4-diol (CHEBI:48583)
triphenylsulfonium 4-hydroxy-1-adamantyloxycarbonyldifluoromethanesulfonate (CHEBI:48456) has part triphenylsulfonium (CHEBI:48596)
triphenylsulfonium 4-hydroxy-1-adamantyloxycarbonyldifluoromethanesulfonate (CHEBI:48456) is a organic salt (CHEBI:24868)
IUPAC Name 
triphenylsulfonium 1,1-difluoro-2-[(4-hydroxyadamantan-1-yl)oxy]-2-oxoethanesulfonate
Manual XrefsDatabases
EP1873143Patent