<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">338373</id>
  <title nil="true"/>
  <common-name>7-hydroxy-8-[[4-(4-hydroxy-3-methylphenyl)-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid</common-name>
  <description>7-hydroxy-8-[[4-(4-hydroxy-3-methylphenyl)-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid is a chemical compound with the formula C24H20N2O8S2. With an average molecular weight of 528.60 g/mol, 7-hydroxy-8-[[4-(4-hydroxy-3-methylphenyl)-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>135571068</pubchem-id>
  <chemical-formula>C24H20N2O8S2</chemical-formula>
  <weight>528.6</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">2026-08-30T21:28:14Z</created-at>
  <updated-at type="dateTime">2026-08-30T21:28:14Z</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>CC1=C(C=CC(=C1)C2=CC(=C(C=C2)O)C)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O</moldb-smiles>
  <moldb-formula>C24H20N2O8S2</moldb-formula>
  <moldb-inchi>InChI=1S/C24H20N2O8S2/c1-13-9-15(16-4-7-20(27)14(2)10-16)3-6-19(13)25-26-24-21(28)8-5-17-11-18(35(29,30)31)12-22(23(17)24)36(32,33)34/h3-12,27-28H,1-2H3,(H,29,30,31)(H,32,33,34)</moldb-inchi>
  <moldb-inchikey>YIBLSRDTGAZNOU-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">528.066108</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.1</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>CHEM334266</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-hydroxy-8-[[4-(4-hydroxy-3-methylphenyl)-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic 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>CED0288800</sync-id>
  <structure-inchikey>YIBLSRDTGAZNOU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000000000000006000000000000000081100000000000000000200000000005040000020000000000800000000040000000000000000000000000000000000000008000002020000020000000000000000004000000000000004000410000080800000000100000800000001000000000000000000000000000000040000000000000000000000000800000000000000000000000000000000000000000000200000008080100000000000000000000188001000000000000000000000000002100100800000000400000000000002000000200000000000000000000000001000040000000000000000000000000008000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAkAAAAJwAAAIABBgBgAAAAAQMGQCgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:39:10Z</structure-indexed-at>
</compound>
