<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">351931</id>
  <title nil="true"/>
  <common-name>8-hydroxy-7-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid</common-name>
  <description>8-hydroxy-7-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid is a chemical compound with the formula C32H22N4O11S3. With an average molecular weight of 734.70 g/mol, 8-hydroxy-7-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid is a heavy molecule.</description>
  <cas>25329-82-2</cas>
  <pubchem-id>103258</pubchem-id>
  <chemical-formula>C32H22N4O11S3</chemical-formula>
  <weight>734.7</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">2026-08-31T17:56:54Z</created-at>
  <updated-at type="dateTime">2026-08-31T17:56:54Z</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=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)O</moldb-smiles>
  <moldb-formula>C32H22N4O11S3</moldb-formula>
  <moldb-inchi>InChI=1S/C32H22N4O11S3/c37-26-14-9-20-3-1-2-4-25(20)30(26)35-33-22-10-5-18(6-11-22)19-7-12-23(13-8-19)34-36-31-28(50(45,46)47)16-21-15-24(48(39,40)41)17-27(49(42,43)44)29(21)32(31)38/h1-17,37-38H,(H,39,40,41)(H,42,43,44)(H,45,46,47)</moldb-inchi>
  <moldb-inchikey>LMKBZNJJQISXRN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">734.0447211</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.1</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>CHEM347824</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-hydroxy-7-[[4-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic 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>Benzene and substituted derivatives</klass>
  <subklass>Biphenyls and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0302221</sync-id>
  <structure-inchikey>LMKBZNJJQISXRN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000000180300000000000000000200000000005040000020000000000800000000000000000000000000000000000000000000000008000002020000020000000000000000004000000000000000000010000000800000000100000800000001000000400000000000000008000000000000001800080000000000000800000020100000000000000000000000000000000000800040000080000000000000000000000188000010000000000040000040100002100000000000000400080000000000000000200000000000000000000000803000040000000000000000000000800008000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������2���7���€��@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���h���h��� ��(��� ��h���h���h���h���h�� h� !h�!"h�"#h�#$�$%��$&amp;��$'��(�()��(*��(+��,�,-��,.��,/��0 �1 ��h�	�h���h���h�#�h�!�h�B���������������	������������������!"#����� !�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:49:47Z</structure-indexed-at>
</compound>
