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CHEBI:48454 - triphenylsulfonium 4-oxo-1-adamantyloxycarbonyldifluoromethanesulfonate

ChEBI IDCHEBI:48454
ChEBI Nametriphenylsulfonium 4-oxo-1-adamantyloxycarbonyldifluoromethanesulfonate
Stars
Last Modified5 March 2012
Submitterhcourrier
DownloadsMolfile
FormulaC12H13F2O6S.C18H15S
Net Charge0
Average Mass586.678
Monoisotopic Mass586.12954
SMILESO=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15S.C12H14F2O6S/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;6-8H,1-5H2,(H,17,18,19)/q+1;/p-1
InChIKeyBAHMOGUQNNDZRT-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
triphenylsulfonium 4-oxo-1-adamantyloxycarbonyldifluoromethanesulfonate (CHEBI:48454) has functional parent idramantone (CHEBI:48581)
triphenylsulfonium 4-oxo-1-adamantyloxycarbonyldifluoromethanesulfonate (CHEBI:48454) has part triphenylsulfonium (CHEBI:48596)
triphenylsulfonium 4-oxo-1-adamantyloxycarbonyldifluoromethanesulfonate (CHEBI:48454) is a organic salt (CHEBI:24868)
IUPAC Name 
triphenylsulfonium 1,1-difluoro-2-oxo-2-[(4-oxoadamantan-1-yl)oxy]ethanesulfonate
Manual XrefsDatabases
EP1873143Patent