<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">351927</id>
  <title nil="true"/>
  <common-name>8-anilino-5-[[4-[(4-chloro-3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid</common-name>
  <description>8-anilino-5-[[4-[(4-chloro-3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid has the chemical formula C32H22ClN5O6S2. With an average molecular weight of 672.10 g/mol, 8-anilino-5-[[4-[(4-chloro-3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-sulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>11969526</pubchem-id>
  <chemical-formula>C32H22ClN5O6S2</chemical-formula>
  <weight>672.1</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">2026-08-31T17:56:31Z</created-at>
  <updated-at type="dateTime">2026-08-31T17:56:31Z</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)NC2=C3C(=C(C=C2)N=NC4=CC=C(C5=CC=CC=C54)N=NC6=CC(=C(C=C6)Cl)S(=O)(=O)O)C=CC=C3S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C32H22ClN5O6S2</moldb-formula>
  <moldb-inchi>InChI=1S/C32H22ClN5O6S2/c33-25-14-13-21(19-31(25)46(42,43)44)35-36-26-15-16-27(23-10-5-4-9-22(23)26)37-38-28-17-18-29(34-20-7-2-1-3-8-20)32-24(28)11-6-12-30(32)45(39,40)41/h1-19,34H,(H,39,40,41)(H,42,43,44)</moldb-inchi>
  <moldb-inchikey>ODXIQJSEMFXFNF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">671.0700035</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.6</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>CHEM347820</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>8-anilino-5-[[4-[(4-chloro-3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-1-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>1,1'-azonaphthalenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0302217</sync-id>
  <structure-inchikey>ODXIQJSEMFXFNF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000001000000002000000000000200110200000000000000010000000000000000000020002000004800000000000000000000000100000000000000000400000008000000020000020002020000001000004000000000000000000010010000800000000100000000000001000000000000000800000000001000000000000800000000000000080000000000100000080000000000000000408000000000000040000080000000000000000000000080001000000080800000000140000000000000000000002000090000000000000000200000000000000000000000002800040000000000000000000000000008000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������.���3���€��@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�	
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������������������� ��&amp;'()�	����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:49:46Z</structure-indexed-at>
</compound>
