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<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 21:59:52 UTC</creation_date>
  <update_date>2026-04-05 21:59:52 UTC</update_date>
  <accession/>
  <common_name>1-Amino-4-(4-amino-3-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, sodium salt</common_name>
  <class>SmallMolecule</class>
  <description>1-Amino-4-(4-amino-3-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid, sodium salt belongs to the anthraquinones, a subclass of anthracenes within the organic compounds. It is categorized under the superclass of benzenoids and has the chemical formula C20H15N3O8S2.xNa.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C20H15N3O8S2.xNa</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight/>
  <iupac_name/>
  <traditional_iupac/>
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  <smiles/>
  <inchi>InChI=1/C20H15N3O8S2.2Na/c21-12-6-5-9(7-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25;;/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2/rC20H13N3Na2O8S2/c21-12-6-5-9(7-14(12)34(28,29)32-24)23-13-8-15(35(30,31)33-25)18(22)17-16(13)19(26)10-3-1-2-4-11(10)20(17)27/h1-8,23H,21-22H2</inchi>
  <inchikey>GUCIZQSDEMEOAP-UHFFFAOYSA-L</inchikey>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
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    <property>
      <kind>formula</kind>
      <value>C20H15N3O8S2.xNa</value>
      <source>ChemAxon</source>
    </property>
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      <value>InChI=1/C20H15N3O8S2.2Na/c21-12-6-5-9(7-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25;;/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2/rC20H13N3Na2O8S2/c21-12-6-5-9(7-14(12)34(28,29)32-24)23-13-8-15(35(30,31)33-25)18(22)17-16(13)19(26)10-3-1-2-4-11(10)20(17)27/h1-8,23H,21-22H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GUCIZQSDEMEOAP-UHFFFAOYSA-L</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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