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<compound>
  <version>1.0</version>
  <creation_date>2026-08-22 14:57:13 UTC</creation_date>
  <update_date>2026-08-22 14:57:13 UTC</update_date>
  <accession/>
  <common_name>2-[4,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl]benzoic acid</common_name>
  <class>SmallMolecule</class>
  <description>2-[4,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl]benzoic acid belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. With an average molecular weight of 823.70 g/mol, 2-[4,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,7-dichloro-3-hydroxy-6-oxanthen-9-yl]benzoic acid is a heavy molecule. This organoheterocyclic compound has the chemical formula C46H36Cl2N6O5. It has been found in or released from two recorded sources, specifically electrical and electronic equipment such as antennas and amplifiers.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C46H36Cl2N6O5</chemical_formula>
  <average_molecular_weight>823.7</average_molecular_weight>
  <monisotopic_moleculate_weight>822.2124237</monisotopic_moleculate_weight>
  <iupac_name/>
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  <smiles/>
  <inchi>InChI=1S/C46H36Cl2N6O5/c47-39-21-35-41(33-15-1-2-16-34(33)46(57)58)36-22-40(48)43(56)38(28-54(25-31-13-5-9-19-51-31)26-32-14-6-10-20-52-32)45(36)59-44(35)37(42(39)55)27-53(23-29-11-3-7-17-49-29)24-30-12-4-8-18-50-30/h1-22,55H,23-28H2,(H,57,58)</inchi>
  <inchikey>NKEYRLVORYSIBB-UHFFFAOYSA-N</inchikey>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
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  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>5.6</value>
    </property>
  </experimental_properties>
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    <property>
      <kind>average_mass</kind>
      <value>823.7</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>822.2124237</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C46H36Cl2N6O5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C46H36Cl2N6O5/c47-39-21-35-41(33-15-1-2-16-34(33)46(57)58)36-22-40(48)43(56)38(28-54(25-31-13-5-9-19-51-31)26-32-14-6-10-20-52-32)45(36)59-44(35)37(42(39)55)27-53(23-29-11-3-7-17-49-29)24-30-12-4-8-18-50-30/h1-22,55H,23-28H2,(H,57,58)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>NKEYRLVORYSIBB-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <pubchem_compound_id>4250763</pubchem_compound_id>
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