<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347796</id>
  <title nil="true"/>
  <common-name>5-[(4-hydroxy-2-methylphenyl)diazenyl]-2-[2-[4-[(4-hydroxy-2-methylphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid</common-name>
  <description>5-[(4-hydroxy-2-methylphenyl)diazenyl]-2-[2-[4-[(4-hydroxy-2-methylphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid is a chemical compound with the formula C28H24N4O8S2. With an average molecular weight of 608.60 g/mol, 5-[(4-hydroxy-2-methylphenyl)diazenyl]-2-[2-[4-[(4-hydroxy-2-methylphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>170915</pubchem-id>
  <chemical-formula>C28H24N4O8S2</chemical-formula>
  <weight>608.6</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-31T11:36:45Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:36:45Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CC1=C(C=CC(=C1)O)N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N=NC4=C(C=C(C=C4)O)C)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C28H24N4O8S2</moldb-formula>
  <moldb-inchi>InChI=1S/C28H24N4O8S2/c1-17-13-23(33)9-11-25(17)31-29-21-7-5-19(27(15-21)41(35,36)37)3-4-20-6-8-22(16-28(20)42(38,39)40)30-32-26-12-10-24(34)14-18(26)2/h3-16,33-34H,1-2H3,(H,35,36,37)(H,38,39,40)</moldb-inchi>
  <moldb-inchikey>PUMCJTNRNVJZMT-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">608.1035561</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM343689</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>5-[(4-hydroxy-2-methylphenyl)diazenyl]-2-[2-[4-[(4-hydroxy-2-methylphenyl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Phenylpropanoids and polyketides</superklass>
  <klass>Stilbenes</klass>
  <subklass>Sulfonated stilbenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0298134</sync-id>
  <structure-inchikey>PUMCJTNRNVJZMT-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000002000000000000000000200000000000000000000000000000000000020000000400800000000040000000000000000000000000000000000000008000000020000020000020000200000004000040000000000000010000001800000000100000000000001000000040000000000000000000000040000400004000000000000800000000000000000000000000000800000000004000000000000008080100000000000000000000080001000000000800000000000000002000000000000000000080000000002000000200000000000000000000000002000040000000000000000000000000000000020000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������*���-���€���`������@(������@(������@h�������@h�������@(������@h��������h��������(�������(������@(������@h�������@(������@(������@h�������@h��������h��������h�������@(������@(������@h�������@(������@h�������@h��������(�������(������@(������@(������@h�������@(������@h�������@h��������h��������`������� ������(�������(�������`������� ������(�������(�������`�����������h���h���h���h���h��� �� �	(�	
 
�h���h��h��h���h�� ��(��� ��h���h���h���h���h��� ��(��� ��h���h���h���h���h��  �!��"�"#��"$��"%��&amp;�&amp;'��&amp;(��&amp;)���h��
h���h���h�B����������������
������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:46:21Z</structure-indexed-at>
</compound>
