<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 15:03:47 UTC</creation_date>
  <update_date>2026-04-16 22:13:31 UTC</update_date>
  <accession/>
  <common_name>Dodecylbenzenesulfonate, tetrabutylphosphonium salt</common_name>
  <class>SmallMolecule</class>
  <description>Dodecylbenzenesulfonate, tetrabutylphosphonium salt belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This compound has the chemical formula C34H65O3PS. With an average molecular weight of 584.90 g/mol, Dodecylbenzenesulfonate, tetrabutylphosphonium salt is a heavy molecule. It is categorized within the benzenoids superclass. Regarding its environmental presence, the substance is found in or released from one recorded source: Electrical &amp; Electronic Equipment (Antennas).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C34H65O3PS</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>584.4392032</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>111503-99-2</cas_registry_number>
  <smiles>CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCC[P+](CCCC)(CCCC)CCCC</smiles>
  <inchi>InChI=1S/C18H30O3S.C16H36P/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);5-16H2,1-4H3/q;+1/p-1</inchi>
  <inchikey>NJMIRMHNYQIHST-UHFFFAOYSA-M</inchikey>
  <taxonomy>
    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
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    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
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    <property>
      <kind>mono_mass</kind>
      <value>584.4392032</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCC[P+](CCCC)(CCCC)CCCC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C34H65O3PS</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C18H30O3S.C16H36P/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);5-16H2,1-4H3/q;+1/p-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>NJMIRMHNYQIHST-UHFFFAOYSA-M</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <symptoms/>
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  <hmdb_id/>
  <pubchem_compound_id>21976050</pubchem_compound_id>
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