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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 21538
    role 21517
      application 20998
        dye 1297
          bromosulfophthalein(2-) 0
            bromosulfophthalein sodium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21538
    subatomic particle 21525
      composite particle 21525
        hadron 21525
          baryon 21525
            nucleon 21525
              atomic nucleus 21525
                atom 21525
                  main group element atom 21426
                    p-block element atom 21426
                      chalcogen 20480
                        oxygen atom 20458
                          oxygen molecular entity 20458
                            oxide 12243
                              oxoanion 9129
                                chalcogen oxoanion 543
                                  sulfur oxoanion 542
                                    sulfonate 28
                                      organosulfonate oxoanion 28
                                        bromosulfophthalein(2-) 0
                                          bromosulfophthalein sodium 0
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