<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-31 13:57:00 UTC</creation_date>
  <update_date>2026-08-31 13:57:00 UTC</update_date>
  <accession/>
  <common_name>3,5-diamino-2,4-bis[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-6-[(2-sulfophenyl)diazenyl]benzoic acid</common_name>
  <class>SmallMolecule</class>
  <description>3,5-diamino-2,4-bis[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-6-[(2-sulfophenyl)diazenyl]benzoic acid has the chemical formula C29H28N8O17S5. With an average molecular weight of 920.90 g/mol, 3,5-diamino-2,4-bis[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-6-[(2-sulfophenyl)diazenyl]benzoic acid is a heavy molecule.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C29H28N8O17S5</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>920.0175973</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>292827-64-6</cas_registry_number>
  <smiles>C1=CC=C(C(=C1)N=NC2=C(C(=C(C(=C2C(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)N)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O)N)S(=O)(=O)O</smiles>
  <inchi>InChI=1S/C29H28N8O17S5/c30-24-26(35-32-17-5-9-19(10-6-17)55(40,41)15-13-53-58(47,48)49)23(29(38)39)27(36-34-21-3-1-2-4-22(21)57(44,45)46)25(31)28(24)37-33-18-7-11-20(12-8-18)56(42,43)16-14-54-59(50,51)52/h1-12H,13-16,30-31H2,(H,38,39)(H,44,45,46)(H,47,48,49)(H,50,51,52)</inchi>
  <inchikey>AYOPDCHMPRJLPX-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <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>0.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>920.0175973</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>C1=CC=C(C(=C1)N=NC2=C(C(=C(C(=C2C(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)N)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O)N)S(=O)(=O)O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C29H28N8O17S5</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C29H28N8O17S5/c30-24-26(35-32-17-5-9-19(10-6-17)55(40,41)15-13-53-58(47,48)49)23(29(38)39)27(36-34-21-3-1-2-4-22(21)57(44,45)46)25(31)28(24)37-33-18-7-11-20(12-8-18)56(42,43)16-14-54-59(50,51)52/h1-12H,13-16,30-31H2,(H,38,39)(H,44,45,46)(H,47,48,49)(H,50,51,52)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>AYOPDCHMPRJLPX-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72259a3c08&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>11228401</pubchem_compound_id>
  <chembl_id/>
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  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
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  <wikipidia/>
  <general_references/>
  <targets>
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</compound>
