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<compound>
  <version>1.0</version>
  <creation_date>2026-08-30 03:01:13 UTC</creation_date>
  <update_date>2026-08-30 03:01:13 UTC</update_date>
  <accession/>
  <common_name>3-hydroxy-4-[(2-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-carboxylic acid</common_name>
  <class>SmallMolecule</class>
  <description>3-hydroxy-4-[(2-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-carboxylic acid is a chemical compound with the formula C21H14N2O6S. It has an average molecular weight of 422.40 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C21H14N2O6S</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>422.0572573</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)S(=O)(=O)O</smiles>
  <inchi>InChI=1S/C21H14N2O6S/c24-20-16(21(25)26)11-13-6-2-4-8-15(13)19(20)23-22-18-14-7-3-1-5-12(14)9-10-17(18)30(27,28)29/h1-11,24H,(H,25,26)(H,27,28,29)</inchi>
  <inchikey>OCFMAQIVFZVNGM-UHFFFAOYSA-N</inchikey>
  <taxonomy>
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    <sub_class/>
    <direct_parent/>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
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  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>4.7</value>
    </property>
  </experimental_properties>
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    <property>
      <kind>mono_mass</kind>
      <value>422.0572573</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)S(=O)(=O)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C21H14N2O6S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C21H14N2O6S/c24-20-16(21(25)26)11-13-6-2-4-8-15(13)19(20)23-22-18-14-7-3-1-5-12(14)9-10-17(18)30(27,28)29/h1-11,24H,(H,25,26)(H,27,28,29)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>OCFMAQIVFZVNGM-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>135820559</pubchem_compound_id>
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