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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:bromosulfophthalein(2-)
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Accession:CHEBI:63832 term browser browse the term
Definition:An organosulfonate oxoanion obtained by deprotonation of both sulfonyl groups of bromosulfophthalein.
Synonyms:exact_synonym: 3,3'-(4,5,6,7-tetrabromo-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis(6-hydroxybenzenesulfonate)
 related_synonym: Formula=C20H8Br4O10S2;   InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)/p-2;   InChIKey=OHTXTCNTQJFRIG-UHFFFAOYSA-L;   SMILES=Oc1ccc(cc1S([O-])(=O)=O)C1(OC(=O)c2c(Br)c(Br)c(Br)c(Br)c12)c1ccc(O)c(c1)S([O-])(=O)=O;   bromosulfophthalein;   bromosulfophthalein dianion
 xref: Reaxys:1416698
 cyclic_relationship: is_conjugate_base_of CHEBI:63836


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  CHEBI ontology 880
    role 860
      application 496
        dye 3
          bromosulfophthalein(2-) 0
            bromosulfophthalein sodium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 880
    subatomic particle 865
      composite particle 865
        hadron 865
          baryon 865
            nucleon 865
              atomic nucleus 865
                atom 865
                  main group element atom 855
                    p-block element atom 852
                      chalcogen 813
                        oxygen atom 760
                          oxygen molecular entity 760
                            oxide 73
                              oxoanion 41
                                chalcogen oxoanion 1
                                  sulfur oxoanion 1
                                    sulfonate 0
                                      organosulfonate oxoanion 0
                                        bromosulfophthalein(2-) 0
                                          bromosulfophthalein sodium 0
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