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<compound>
  <version>1.0</version>
  <creation_date>2026-08-20 01:11:56 UTC</creation_date>
  <update_date>2026-08-20 01:11:56 UTC</update_date>
  <accession/>
  <common_name>[2-[4-(2-methylpropyl)cyclohexyl]-2-oxoethyl] benzenesulfonate</common_name>
  <class>SmallMolecule</class>
  <description>[2-[4-(2-methylpropyl)cyclohexyl]-2-oxoethyl] benzenesulfonate belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the formula C18H26O4S and an average molecular weight of 338.50 g/mol.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C18H26O4S</chemical_formula>
  <average_molecular_weight>338.5</average_molecular_weight>
  <monisotopic_moleculate_weight>338.1551805</monisotopic_moleculate_weight>
  <iupac_name/>
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  <smiles/>
  <inchi>InChI=1S/C18H26O4S/c1-14(2)12-15-8-10-16(11-9-15)18(19)13-22-23(20,21)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3</inchi>
  <inchikey>RLVLLBHWAQWLKL-UHFFFAOYSA-N</inchikey>
  <taxonomy>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
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  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>4.6</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>338.5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>338.1551805</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C18H26O4S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C18H26O4S/c1-14(2)12-15-8-10-16(11-9-15)18(19)13-22-23(20,21)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>RLVLLBHWAQWLKL-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>134847</pubchem_compound_id>
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