<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">78214</id>
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  <common-name>Benzenesulfonic acid, 3-[[4-[(4-hydroxyphenyl)azo]-3-methoxyphenyl]azo]-</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id nil="true"/>
  <chemical-formula>C19H16N4O5S1</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-04T11:39:03Z</created-at>
  <updated-at type="dateTime">2026-04-04T11:39:03Z</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>COC1=CC(=CC=C1N=NC1=CC=C(O)C=C1)N=NC1=CC=CC(=C1)S(O)(=O)=O</moldb-smiles>
  <moldb-formula>C19H16N4O5S1</moldb-formula>
  <moldb-inchi>InChI=1S/C19H16N4O5S/c1-28-19-12-15(22-21-14-3-2-4-17(11-14)29(25,26)27)7-10-18(19)23-20-13-5-8-16(24)9-6-13/h2-12,23H,1H3,(H,25,26,27)/b22-21+</moldb-inchi>
  <moldb-inchikey>BTQOIHYBALGCDD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">412.42</moldb-average-mass>
  <moldb-mono-mass type="decimal">412.08414</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4588688</chemspider-id>
  <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>CHEM074107</chemdb-id>
  <dsstox-id>DTXSID7071498</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00036578</susdat-id>
  <iupac nil="true"/>
  <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>Organoheterocyclic compounds</superklass>
  <klass>Azobenzenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0134662</sync-id>
  <structure-inchikey>BTQOIHYBALGCDD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000002000000000000000000200000000000400000000000000001000000020000000000000000000000000000000000000000000000000000000100008000000020000020000020000100000004000040000000000000010000000040000000100000000000001000000000000000000000000001000040000002800000000000010000000000000000040000000000000000000000004000000000000000080000004000000000000000088001000000008080000000000100002000000000000800000080000000000000000200000020000000000000000002000040000000000000000000000020000000000000000000</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��� �	(�	
 
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h���h�B����������������
�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:25:44Z</structure-indexed-at>
</compound>
