<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347438</id>
  <title nil="true"/>
  <common-name>7-o-[(2-hydroxy-3,5-dinitrophenyl)diazenyl] 2-o-[(4-nitrophenyl)diazenyl] 4-[(2,4-dihydroxyphenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>139594400</pubchem-id>
  <chemical-formula>C28H17N9O16S2</chemical-formula>
  <weight>799.6</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">2026-08-31T11:11:47Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:11:47Z</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>C1=CC(=CC=C1N=NOS(=O)(=O)C2=CC(=C3C(=C2)C=C(C=C3O)S(=O)(=O)ON=NC4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])O)N=NC5=C(C=C(C=C5)O)O)[N+](=O)[O-]</moldb-smiles>
  <moldb-formula>C28H17N9O16S2</moldb-formula>
  <moldb-inchi>InChI=1S/C28H17N9O16S2/c38-18-5-6-21(25(39)11-18)30-31-22-12-19(54(48,49)52-33-29-15-1-3-16(4-2-15)35(42)43)7-14-8-20(13-26(40)27(14)22)55(50,51)53-34-32-23-9-17(36(44)45)10-24(28(23)41)37(46)47/h1-13,38-41H</moldb-inchi>
  <moldb-inchikey>VEKQAIJWDMCIEK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">799.0234678</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.9</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>CHEM343331</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>7-o-[(2-hydroxy-3,5-dinitrophenyl)diazenyl] 2-o-[(4-nitrophenyl)diazenyl] 4-[(2,4-dihydroxyphenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate</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>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass>Naphthalene sulfonic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0297780</sync-id>
  <structure-inchikey>VEKQAIJWDMCIEK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>c02000000002000000000000000002000000000000002081200000200000000000000000000001000000022000000400000000080000000000000000020000000000000000000000000000000000000020000000000100001804000040400040000000014000002200004000100200400000001000000000000000000000088000000000000000000000000000000020000004001000000000000000000022000000004000000000000000080800040000000000000000080001000000008800000080000300002100000000000000000000000000000000000200000000000000420000000003000040000000000000000000001000008000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������7���;���€��@h�������@h�������@(������@h�������@h�������@(�������(�������(�������(������� ������(�������(������@(������@h�������@(������@(������@(������@h�������@h�������@(������@h�������@(�������h�������� ������(�������(�������(�������(�������(������@(������@(������@(������@h�������@(������@h������� *��������(������ *���ÿ��� *��������(������ *���ÿ����h��������(�������(������@(������@(������@h�������@(������@h�������@h��������h��������h������� *��������(������ *���ÿ�����h���h���h���h���h��� ��(��� �	�	
��	���	���h��h���h���h���h���h���h���h���h��� ���������������� ��(��� ��h���h�� h� !h�!"h�!# #$(�#% �&amp; &amp;'(�&amp;( �) �* *+(�+, ,-h�-.h�./h�/0h�01h�/2 -3 �4 45(�46 ��h���h���h�"�h�1,h�B��������������������������� !"��-./01,����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:45:59Z</structure-indexed-at>
</compound>
