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<compound>
  <id type="integer">97716</id>
  <title nil="true"/>
  <common-name>Disodium 4,4'-[(4,6-dihydroxy-1,3-phenylene)bis(azo)]bisnaphthalene-1-sulphonate</common-name>
  <description>Disodium 4,4'-[(4,6-dihydroxy-1,3-phenylene)bis(azo)]bisnaphthalene-1-sulphonate belongs to the naphthalene sulfonic acids and derivatives, a subclass of naphthalenes within the organic compounds. It is categorized under the benzenoids superclass and has the chemical formula C26H18N4O8S2. With an average molecular weight of 622.53 g/mol, Disodium 4,4'-[(4,6-dihydroxy-1,3-phenylene)bis(azo)]bisnaphthalene-1-sulphonate is a heavy molecule.</description>
  <cas>103470-82-2</cas>
  <pubchem-id>166420</pubchem-id>
  <chemical-formula>C26H18N4O8S2</chemical-formula>
  <weight>578.6</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">2026-04-05T05:27:07Z</created-at>
  <updated-at type="dateTime">2026-08-31T05:10:41Z</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=C2C=CC=CC2=C(C=C1)S([O-])(=O)=O)N=NC1=C2C=CC=CC2=C(C=C1)S([O-])(=O)=O</moldb-smiles>
  <moldb-formula>C26H18N4O8S2</moldb-formula>
  <moldb-inchi>InChI=1/C26H18N4O8S2.2Na/c31-23-14-24(32)22(30-28-20-10-12-26(40(36,37)38)18-8-4-2-6-16(18)20)13-21(23)29-27-19-9-11-25(39(33,34)35)17-7-3-1-5-15(17)19;;/h1-14,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2</moldb-inchi>
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  <moldb-average-mass type="decimal">622.53</moldb-average-mass>
  <moldb-mono-mass type="decimal">578.0566055</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <structure-image-content-type nil="true"/>
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  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM093609</chemdb-id>
  <dsstox-id>DTXSID00890286</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00060104</susdat-id>
  <iupac>4-[[2,4-dihydroxy-5-[(4-sulfonaphthalen-1-yl)diazenyl]phenyl]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>Naphthalene sulfonic acids and derivatives</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0156809</sync-id>
  <structure-inchikey>XWZDSUWTMPTODR-UHFFFAOYSA-L</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:37:42Z</structure-indexed-at>
</compound>
