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<compound>
  <version>1.0</version>
  <creation_date>2026-08-30 12:09:04 UTC</creation_date>
  <update_date>2026-08-30 12:09:04 UTC</update_date>
  <accession/>
  <common_name>(4-tert-butylphenyl)-diphenylsulfanium;trifluoromethanesulfonate</common_name>
  <class>SmallMolecule</class>
  <description>(4-tert-butylphenyl)-diphenylsulfanium;trifluoromethanesulfonate is a chemical compound with the formula C23H23F3O3S2. It has an average molecular weight of 468.60 g/mol.</description>
  <categories/>
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  <synonyms/>
  <chemical_formula>C23H23F3O3S2</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>468.1040714</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>145612-66-4</cas_registry_number>
  <smiles>CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]</smiles>
  <inchi>InChI=1S/C22H23S.CHF3O3S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2-1(3,4)8(5,6)7/h4-17H,1-3H3;(H,5,6,7)/q+1;/p-1</inchi>
  <inchikey>RLAWXWSZTKMPQQ-UHFFFAOYSA-M</inchikey>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
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    <property>
      <kind>mono_mass</kind>
      <value>468.1040714</value>
      <source>ChemAxon</source>
    </property>
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      <value>CC(C)(C)C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C23H23F3O3S2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C22H23S.CHF3O3S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2-1(3,4)8(5,6)7/h4-17H,1-3H3;(H,5,6,7)/q+1;/p-1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>RLAWXWSZTKMPQQ-UHFFFAOYSA-M</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <pubchem_compound_id>2783197</pubchem_compound_id>
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