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<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 21:45:42 UTC</creation_date>
  <update_date>2026-04-05 21:45:42 UTC</update_date>
  <accession/>
  <common_name>Copper(2+) 2-oxidobenzoate--2-hydroxybenzoic acid (1/1/1)</common_name>
  <class>SmallMolecule</class>
  <description>Copper(2+) 2-oxidobenzoate--2-hydroxybenzoic acid (1/1/1) belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It has the chemical formula C14H10CuO6 and an average molecular weight of 337.77 g/mol. It is classified as a benzenoid superclass compound.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C14H10CuO6</chemical_formula>
  <average_molecular_weight>337.774</average_molecular_weight>
  <monisotopic_moleculate_weight>336.977336</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>16048-96-7</cas_registry_number>
  <smiles>[Cu++].OC(=O)C1=CC=CC=C1O.[O-]C(=O)C1=CC=CC=C1[O-]</smiles>
  <inchi>InChI=1/2C7H6O3.Cu/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2</inchi>
  <inchikey>CMRVDFLZXRTMTH-UHFFFAOYSA-L</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
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  </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>337.774</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>336.977336</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>[Cu++].OC(=O)C1=CC=CC=C1O.[O-]C(=O)C1=CC=CC=C1[O-]</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C14H10CuO6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/2C7H6O3.Cu/c2*8-6-4-2-1-3-5(6)7(9)10;/h2*1-4,8H,(H,9,10);/q;;+2/p-2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>CMRVDFLZXRTMTH-UHFFFAOYSA-L</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <symptoms/>
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  <drugbank_id/>
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  <pubchem_compound_id>102331730</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>103881268</chemspider_id>
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