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  <version>1.0</version>
  <creation_date>2026-04-05 04:12:18 UTC</creation_date>
  <update_date>2026-04-05 04:12:18 UTC</update_date>
  <accession/>
  <common_name>Ethylnaphthalenesulphonic acid</common_name>
  <class>SmallMolecule</class>
  <description>Ethylnaphthalenesulphonic acid belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It is classified as a benzenoid with the formula C12H12O3S and an average molecular weight of 236.29 g/mol.</description>
  <categories/>
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  <synonyms/>
  <chemical_formula>C12H12O3S</chemical_formula>
  <average_molecular_weight>236.29</average_molecular_weight>
  <monisotopic_moleculate_weight>236.0507152</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>76214-58-9</cas_registry_number>
  <smiles>CCC1=C(C2=CC=CC=C2C=C1)S(O)(=O)=O</smiles>
  <inchi>InChI=1/C12H12O3S/c1-2-9-7-8-10-5-3-4-6-11(10)12(9)16(13,14)15/h3-8H,2H2,1H3,(H,13,14,15)</inchi>
  <inchikey>JCRMBLKUFLUWPU-UHFFFAOYSA-N</inchikey>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
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    <property>
      <kind>average_mass</kind>
      <value>236.29</value>
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    </property>
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      <value>236.0507152</value>
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    </property>
    <property>
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      <value>CCC1=C(C2=CC=CC=C2C=C1)S(O)(=O)=O</value>
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    </property>
    <property>
      <kind>formula</kind>
      <value>C12H12O3S</value>
      <source>ChemAxon</source>
    </property>
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      <kind>inchi</kind>
      <value>InChI=1/C12H12O3S/c1-2-9-7-8-10-5-3-4-6-11(10)12(9)16(13,14)15/h3-8H,2H2,1H3,(H,13,14,15)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>JCRMBLKUFLUWPU-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <pubchem_compound_id>3018638</pubchem_compound_id>
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