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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:triphenylsulfonium 4-oxo-1-adamantyloxycarbonyldifluoromethanesulfonate
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Accession:CHEBI:48454 term browser browse the term
Definition:An organic salt that has formula C30H28F2O6S2.
Synonyms:exact_synonym: triphenylsulfonium 1,1-difluoro-2-oxo-2-[(4-oxoadamantan-1-yl)oxy]ethanesulfonate
 related_synonym: Formula=C30H28F2O6S2;   InChI=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;   InChIKey=BAHMOGUQNNDZRT-UHFFFAOYSA-M;   SMILES=c1ccc(cc1)[S+](c1ccccc1)c1ccccc1.[O-]S(=O)(=O)C(F)(F)C(=O)OC12CC3CC(C1)C(=O)C(C3)C2
 xref: Patent:EP1873143


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Term Annotations click to browse term
  CHEBI ontology 22178
    chemical entity 22208
      molecular entity 22169
        ion 17696
          anion 16930
            salt 16597
              organic salt 3365
                triphenylsulfonium 4-oxo-1-adamantyloxycarbonyldifluoromethanesulfonate 0
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Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    main group molecular entity 22104
                      s-block molecular entity 21729
                        hydrogen molecular entity 21646
                          hydrides 20758
                            organic hydride 20308
                              organic fundamental parent 20308
                                hydrocarbon 19888
                                  cyclic hydrocarbon 17940
                                    polycyclic hydrocarbon 17710
                                      polycyclic alkane 42
                                        adamantane 42
                                          adamantanones 0
                                            idramantone 0
                                              triphenylsulfonium 4-oxo-1-adamantyloxycarbonyldifluoromethanesulfonate 0
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