<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 19:37:55 UTC</creation_date>
  <update_date>2026-08-22 08:05:52 UTC</update_date>
  <accession/>
  <common_name>Disodium 2,2'-(5,8-dihydroxy-9,10-dioxoanthracene-1,4-diyldiimino)bis(5-methylbenzenesulphonate</common_name>
  <class>SmallMolecule</class>
  <description>Disodium 2,2'-(5,8-dihydroxy-9,10-dioxoanthracene-1,4-diyldiimino)bis(5-methylbenzenesulphonate 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 C28H22N2O10S2.2Na. With an average molecular weight of 654.60 g/mol, Disodium 2,2'-(5,8-dihydroxy-9,10-dioxoanthracene-1,4-diyldiimino)bis(5-methylbenzenesulphonate is a heavy molecule.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C28H22N2O10S2.2Na</chemical_formula>
  <average_molecular_weight>654.6</average_molecular_weight>
  <monisotopic_moleculate_weight>654.0354758</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>4430-16-4</cas_registry_number>
  <smiles/>
  <inchi>InChI=1/C28H22N2O10S2.2Na/c1-13-3-5-15(21(11-13)41(35,36)37)29-17-7-8-18(30-16-6-4-14(2)12-22(16)42(38,39)40)24-23(17)27(33)25-19(31)9-10-20(32)26(25)28(24)34;;/h3-12,29-32H,1-2H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/rC28H20N2Na2O10S2/c1-13-3-5-15(21(11-13)43(37,38)41-31)29-17-7-8-18(30-16-6-4-14(2)12-22(16)44(39,40)42-32)24-23(17)27(35)25-19(33)9-10-20(34)26(25)28(24)36/h3-12,29-30,33-34H,1-2H3</inchi>
  <inchikey>LERIXBKRKBHLHG-UHFFFAOYSA-L</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>654.6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>654.0354758</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C28H22N2O10S2.2Na</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C28H22N2O10S2.2Na/c1-13-3-5-15(21(11-13)41(35,36)37)29-17-7-8-18(30-16-6-4-14(2)12-22(16)42(38,39)40)24-23(17)27(33)25-19(31)9-10-20(32)26(25)28(24)34;;/h3-12,29-32H,1-2H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/rC28H20N2Na2O10S2/c1-13-3-5-15(21(11-13)43(37,38)41-31)29-17-7-8-18(30-16-6-4-14(2)12-22(16)44(39,40)42-32)24-23(17)27(35)25-19(33)9-10-20(34)26(25)28(24)36/h3-12,29-30,33-34H,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LERIXBKRKBHLHG-UHFFFAOYSA-L</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <hmdb_id/>
  <pubchem_compound_id>78155</pubchem_compound_id>
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</compound>
