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<compound>
  <id type="integer">341738</id>
  <title nil="true"/>
  <common-name>8-[[3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid</common-name>
  <description>8-[[3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid is a chemical compound with the formula C25H23N3O9S3. With an average molecular weight of 605.70 g/mol, 8-[[3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl]diazenyl]-7-hydroxynaphthalene-1,3-disulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>176328</pubchem-id>
  <chemical-formula>C25H23N3O9S3</chemical-formula>
  <weight>605.7</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">2026-08-31T02:20:59Z</created-at>
  <updated-at type="dateTime">2026-08-31T02:20:59Z</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>CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O)C</moldb-smiles>
  <moldb-formula>C25H23N3O9S3</moldb-formula>
  <moldb-inchi>InChI=1S/C25H23N3O9S3/c1-3-28(19-7-5-4-6-8-19)38(30,31)22-14-18(11-9-16(22)2)26-27-25-21(29)12-10-17-13-20(39(32,33)34)15-23(24(17)25)40(35,36)37/h4-15,29H,3H2,1-2H3,(H,32,33,34)(H,35,36,37)</moldb-inchi>
  <moldb-inchikey>MWDUEPHZKQHPEF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">605.0596428</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</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>CHEM337631</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-[[3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl]diazenyl]-7-hydroxynaphthalene-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>CED0292134</sync-id>
  <structure-inchikey>MWDUEPHZKQHPEF-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:41:35Z</structure-indexed-at>
</compound>
