<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">100107</id>
  <title nil="true"/>
  <common-name>Disodium 4-[[2,4-dihydroxy-5-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]benzenesulphonate</common-name>
  <description>Disodium 4-[[2,4-dihydroxy-5-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]benzenesulphonate belongs to the azobenzenes, a class of organoheterocyclic compounds within the organic compounds. With an average molecular weight of 626.53 g/mol, Disodium 4-[[2,4-dihydroxy-5-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]benzenesulphonate is a heavy molecule. Its chemical formula is C24H18N6O8S2.</description>
  <cas nil="true"/>
  <pubchem-id>172481</pubchem-id>
  <chemical-formula>C24H18N6O8S2</chemical-formula>
  <weight>582.6</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">2026-04-05T07:26:48Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:02:22Z</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>[Na+].[Na+].OC1=CC(O)=C(C=C1N=NC1=CC=C(C=C1)N=NC1=CC=C(C=C1)S([O-])(=O)=O)N=NC1=CC=C(C=C1)S([O-])(=O)=O</moldb-smiles>
  <moldb-formula>C24H18N6O8S2</moldb-formula>
  <moldb-inchi>InChI=1/C24H18N6O8S2.2Na/c31-23-14-24(32)22(30-28-18-7-11-20(12-8-18)40(36,37)38)13-21(23)29-27-16-3-1-15(2-4-16)25-26-17-5-9-19(10-6-17)39(33,34)35;;/h1-14,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2</moldb-inchi>
  <moldb-inchikey>KIQNBRVSQLGMGA-UHFFFAOYSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">626.53</moldb-average-mass>
  <moldb-mono-mass type="decimal">582.0627535</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4</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>CHEM096000</chemdb-id>
  <dsstox-id>DTXSID20890001</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00063084</susdat-id>
  <iupac>4-[[4-[[2,4-dihydroxy-5-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonic 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>Organoheterocyclic compounds</superklass>
  <klass>Azobenzenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0076732</sync-id>
  <structure-inchikey>KIQNBRVSQLGMGA-UHFFFAOYSA-L</structure-inchikey>
  <structure-fingerprint>802000000000000000000000000000000000000000000000200000000000000000000000000001000000024000000000000000000000000000000000000000000000000000000000000000000000000020000000000000001004000000000000000000010001100000000000100000000000001000000000000000100000000000000000000000000000000000000000000000000000040000000000000000000000040000000000000000080000000000000000000000080001000000000000000000000100002100000000000000000080000000000000000200000000000000000000000002000040000000000000000000000400000000000000000200</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������*���+���€�� 
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�(��� �h��h���h���h���h��� ��(��� ��h���h���h���h���h����������������� ��(��   !h�!"h�"#h�#$h�$%h�#&amp;�&amp;'�&amp;(��&amp;)��	�h���h���h�% h�B������	������������������!"#$% ����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:39:05Z</structure-indexed-at>
</compound>
