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<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 00:25:41 UTC</creation_date>
  <update_date>2026-04-05 00:25:41 UTC</update_date>
  <accession/>
  <common_name>Diaminotrinitrobenzene</common_name>
  <class>SmallMolecule</class>
  <description>Diaminotrinitrobenzene belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the chemical formula C6H8N5O6. This compound has an average molecular weight of 243.13 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C6H8N5O6</chemical_formula>
  <average_molecular_weight>243.135</average_molecular_weight>
  <monisotopic_moleculate_weight>246.047458</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>26616-30-8</cas_registry_number>
  <smiles>NC1=CC(=C(C(=C1N)N(=O)=O)N(=O)=O)N(=O)=O</smiles>
  <inchi>InChI=1/C6H5N5O6/c7-2-1-3(9(12)13)5(10(14)15)6(4(2)8)11(16)17/h1H,7-8H2</inchi>
  <inchikey>DWSHPNQTKZNJFW-UHFFFAOYSA-N</inchikey>
  <taxonomy>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
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    <property>
      <kind>average_mass</kind>
      <value>243.135</value>
      <source>ChemAxon</source>
    </property>
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      <value>246.047458</value>
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    </property>
    <property>
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      <value>NC1=CC(=C(C(=C1N)N(=O)=O)N(=O)=O)N(=O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C6H8N5O6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C6H5N5O6/c7-2-1-3(9(12)13)5(10(14)15)6(4(2)8)11(16)17/h1H,7-8H2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DWSHPNQTKZNJFW-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <pubchem_compound_id>5743411</pubchem_compound_id>
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