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<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 20:52:21 UTC</creation_date>
  <update_date>2026-08-22 18:32:48 UTC</update_date>
  <accession/>
  <common_name>Butane-1,2,4-triyl trinitrate</common_name>
  <class>SmallMolecule</class>
  <description>Butane-1,2,4-triyl trinitrate belongs to the organic nitrates, a subclass of organic oxoanionic compounds within the organic compounds. This organic oxygen compound has the formula C4H10N3O9 and an average molecular weight of 241.11 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C4H10N3O9</chemical_formula>
  <average_molecular_weight>241.112</average_molecular_weight>
  <monisotopic_moleculate_weight>244.0417039</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>6659-60-5</cas_registry_number>
  <smiles>[O-][N+](=O)OCCC(CO[N+]([O-])=O)O[N+]([O-])=O</smiles>
  <inchi>InChI=1/C4H7N3O9/c8-5(9)14-2-1-4(16-7(12)13)3-15-6(10)11/h4H,1-3H2</inchi>
  <inchikey>RDLIBIDNLZPAQD-UHFFFAOYSA-N</inchikey>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
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  <experimental_properties>
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      <value>1.5</value>
    </property>
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      <kind>average_mass</kind>
      <value>241.112</value>
      <source>ChemAxon</source>
    </property>
    <property>
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      <value>244.0417039</value>
      <source>ChemAxon</source>
    </property>
    <property>
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      <value>[O-][N+](=O)OCCC(CO[N+]([O-])=O)O[N+]([O-])=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C4H10N3O9</value>
      <source>ChemAxon</source>
    </property>
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      <kind>inchi</kind>
      <value>InChI=1/C4H7N3O9/c8-5(9)14-2-1-4(16-7(12)13)3-15-6(10)11/h4H,1-3H2</value>
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    </property>
    <property>
      <kind>inchikey</kind>
      <value>RDLIBIDNLZPAQD-UHFFFAOYSA-N</value>
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    </property>
  </predicted_properties>
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  <pubchem_compound_id>522216</pubchem_compound_id>
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