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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name triphenylsulfonium 4-hydroxy-1-adamantyloxycarbonyldifluoromethanesulfonate
ChEBI ID CHEBI:48456
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H30F2O6S2
Net Charge 0
Average Mass 588.68200
Monoisotopic Mass 588.14519
InChI InChI=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
InChIKey MKWXXVNEIXBTMB-UHFFFAOYSA-M
SMILES c1ccc(cc1)[S+](c1ccccc1)c1ccccc1.OC1C2CC3CC1CC(C3)(C2)OC(=O)C(F)(F)S([O-])(=O)=O
ChEBI Ontology
Outgoing 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 Xref Database
EP1873143 Patent
View more database links
Last Modified
31 March 2014