<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-22 12:01:11 UTC</creation_date>
  <update_date>2026-08-22 12:01:11 UTC</update_date>
  <accession/>
  <common_name>4-[4-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonic acid</common_name>
  <class>SmallMolecule</class>
  <description>4-[4-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonic acid belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids and has the formula C37H29N3O9S3. With an average molecular weight of 755.80 g/mol, 4-[4-[[4-(4-sulfoanilino)phenyl]-[4-(4-sulfophenyl)iminocyclohexa-2,5-dien-1-ylidene]methyl]anilino]benzenesulfonic acid is a heavy molecule.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C37H29N3O9S3</chemical_formula>
  <average_molecular_weight>755.8</average_molecular_weight>
  <monisotopic_moleculate_weight>755.106593</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>61489-48-3</cas_registry_number>
  <smiles/>
  <inchi>InChI=1S/C37H29N3O9S3/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49)</inchi>
  <inchikey>RFKJHQXSLBUONF-UHFFFAOYSA-N</inchikey>
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  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
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  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>5.7</value>
    </property>
  </experimental_properties>
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    <property>
      <kind>average_mass</kind>
      <value>755.8</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>755.106593</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C37H29N3O9S3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C37H29N3O9S3/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>RFKJHQXSLBUONF-UHFFFAOYSA-N</value>
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    </property>
  </predicted_properties>
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  <pubchem_compound_id>72375</pubchem_compound_id>
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