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  <id type="integer">345848</id>
  <title nil="true"/>
  <common-name>2-[[3-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-4-hydroxyphenyl]methyldiazenyl]benzene-1,4-disulfonic acid</common-name>
  <description>2-[[3-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-4-hydroxyphenyl]methyldiazenyl]benzene-1,4-disulfonic acid has the chemical formula C27H20Cl2N8O11S3. With an average molecular weight of 799.60 g/mol, 2-[[3-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-4-hydroxyphenyl]methyldiazenyl]benzene-1,4-disulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>136033700</pubchem-id>
  <chemical-formula>C27H20Cl2N8O11S3</chemical-formula>
  <weight>799.6</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">2026-08-31T08:51:43Z</created-at>
  <updated-at type="dateTime">2026-08-31T08:51:43Z</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(=C(C=C1CN=NC2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)N=NC3=C(C=C4C=C(C=CC4=C3O)NCC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)O)O</moldb-smiles>
  <moldb-formula>C27H20Cl2N8O11S3</moldb-formula>
  <moldb-inchi>InChI=1S/C27H20Cl2N8O11S3/c28-26-32-23(33-27(29)34-26)12-30-15-2-4-17-14(8-15)9-22(51(46,47)48)24(25(17)39)37-36-18-7-13(1-5-20(18)38)11-31-35-19-10-16(49(40,41)42)3-6-21(19)50(43,44)45/h1-10,30,38-39H,11-12H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">797.9790724</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.7</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>CHEM341741</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>2-[[3-[[6-[(4,6-dichloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]-4-hydroxyphenyl]methyldiazenyl]benzene-1,4-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>CED0296202</sync-id>
  <structure-inchikey>VYKHFVYAQAHUFU-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:44:46Z</structure-indexed-at>
</compound>
