<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">353078</id>
  <title nil="true"/>
  <common-name>5-[[4-(benzenesulfonyloxy)phenyl]diazenyl]-8-[[4-(4-nitro-2-sulfoanilino)phenyl]diazenyl]naphthalene-2-sulfonic acid</common-name>
  <description>5-[[4-(benzenesulfonyloxy)phenyl]diazenyl]-8-[[4-(4-nitro-2-sulfoanilino)phenyl]diazenyl]naphthalene-2-sulfonic acid is a chemical compound with the formula C34H24N6O11S3. With an average molecular weight of 788.80 g/mol, 5-[[4-(benzenesulfonyloxy)phenyl]diazenyl]-8-[[4-(4-nitro-2-sulfoanilino)phenyl]diazenyl]naphthalene-2-sulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>166394</pubchem-id>
  <chemical-formula>C34H24N6O11S3</chemical-formula>
  <weight>788.8</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">2026-08-31T19:47:13Z</created-at>
  <updated-at type="dateTime">2026-08-31T19:47:13Z</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=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=CC=C(C=C5)NC6=C(C=C(C=C6)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C34H24N6O11S3</moldb-formula>
  <moldb-inchi>InChI=1S/C34H24N6O11S3/c41-40(42)25-12-17-33(34(20-25)53(46,47)48)35-22-6-8-23(9-7-22)36-39-32-19-18-31(29-16-15-28(21-30(29)32)52(43,44)45)38-37-24-10-13-26(14-11-24)51-54(49,50)27-4-2-1-3-5-27/h1-21,35H,(H,43,44,45)(H,46,47,48)</moldb-inchi>
  <moldb-inchikey>ITWRWXYBUZZPQI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">788.0665191</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.2</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>CHEM348971</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-(benzenesulfonyloxy)phenyl]diazenyl]-8-[[4-(4-nitro-2-sulfoanilino)phenyl]diazenyl]naphthalene-2-sulfonic 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>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass>Naphthalene sulfonic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0303362</sync-id>
  <structure-inchikey>ITWRWXYBUZZPQI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000000000000000000020000000000000021002020000000000000100000000000012000000a0000000004800000000000000000000080100000000000001000000100008000000020000020000000000100001204000000400004000000010010000a10080000100000000000001000000001000000000000000000000000000000800000000000000080000000001100000080000000000020100000000000000000040000080000000000000000000000088001000000088000000000000100000000000000000002000080000000000004000200000000200000420000800002800040000000000000000800001000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������6���;���€��@h�������@h�������@h�������@(������@h�������@h�������� ������(�������(�������(������@(������@h�������@h�������@(������@h�������@h��������(�������(������@(������@(������@h�������@h�������@(������@h�������@(������@(������@h�������@h��������(�������(������@(������@h�������@h�������@(������@h�������@h��������h�������@(������@(������@h�������@(������@h�������@h������� *��������(������ *���ÿ���� ������(�������(�������`������� ������(�������(�������`��������h���h���h���h���h�������������	�	
 
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���������������� !"#��&amp;'()*%����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:50:45Z</structure-indexed-at>
</compound>
