<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-29 20:01:59 UTC</creation_date>
  <update_date>2026-08-29 20:01:59 UTC</update_date>
  <accession/>
  <common_name>2-[2-[2-sulfo-4-(1,3,5-triazin-2-ylamino)phenyl]ethenyl]-5-(1,3,5-triazin-2-ylamino)benzenesulfonic acid</common_name>
  <class>SmallMolecule</class>
  <description>2-[2-[2-sulfo-4-(1,3,5-triazin-2-ylamino)phenyl]ethenyl]-5-(1,3,5-triazin-2-ylamino)benzenesulfonic acid is a chemical compound with the formula C20H16N8O6S2. With an average molecular weight of 528.50 g/mol, 2-[2-[2-sulfo-4-(1,3,5-triazin-2-ylamino)phenyl]ethenyl]-5-(1,3,5-triazin-2-ylamino)benzenesulfonic acid is a heavy molecule.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C20H16N8O6S2</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>528.0634226</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>C1=CC(=C(C=C1NC2=NC=NC=N2)S(=O)(=O)O)C=CC3=C(C=C(C=C3)NC4=NC=NC=N4)S(=O)(=O)O</smiles>
  <inchi>InChI=1S/C20H16N8O6S2/c29-35(30,31)17-7-15(27-19-23-9-21-10-24-19)5-3-13(17)1-2-14-4-6-16(8-18(14)36(32,33)34)28-20-25-11-22-12-26-20/h1-12H,(H,29,30,31)(H,32,33,34)(H,21,23,24,27)(H,22,25,26,28)</inchi>
  <inchikey>KRMMOHWZHDVMBQ-UHFFFAOYSA-N</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/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>528.0634226</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C1=CC(=C(C=C1NC2=NC=NC=N2)S(=O)(=O)O)C=CC3=C(C=C(C=C3)NC4=NC=NC=N4)S(=O)(=O)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C20H16N8O6S2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C20H16N8O6S2/c29-35(30,31)17-7-15(27-19-23-9-21-10-24-19)5-3-13(17)1-2-14-4-6-16(8-18(14)36(32,33)34)28-20-25-11-22-12-26-20/h1-12H,(H,29,30,31)(H,32,33,34)(H,21,23,24,27)(H,22,25,26,28)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>KRMMOHWZHDVMBQ-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
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  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7223d28ad8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>86533</pubchem_compound_id>
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