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  <id type="integer">343738</id>
  <title nil="true"/>
  <common-name>4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-5-[(3-methyl-5-oxo-1-phenyl-4h-pyrazol-4-yl)diazenyl]naphthalene-2,7-disulfonic acid</common-name>
  <description>4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-5-[(3-methyl-5-oxo-1-phenyl-4h-pyrazol-4-yl)diazenyl]naphthalene-2,7-disulfonic acid has the chemical formula C26H19N7O14S3. With an average molecular weight of 749.70 g/mol, 4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-5-[(3-methyl-5-oxo-1-phenyl-4h-pyrazol-4-yl)diazenyl]naphthalene-2,7-disulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>135666617</pubchem-id>
  <chemical-formula>C26H19N7O14S3</chemical-formula>
  <weight>749.7</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">2026-08-31T05:17:09Z</created-at>
  <updated-at type="dateTime">2026-08-31T05:17:09Z</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=NN(C(=O)C1N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=C(C(=CC(=C4)S(=O)(=O)O)[N+](=O)[O-])O)S(=O)(=O)O)C5=CC=CC=C5</moldb-smiles>
  <moldb-formula>C26H19N7O14S3</moldb-formula>
  <moldb-inchi>InChI=1S/C26H19N7O14S3/c1-12-22(26(36)32(31-12)14-5-3-2-4-6-14)29-27-17-9-15(48(39,40)41)7-13-8-20(50(45,46)47)23(25(35)21(13)17)30-28-18-10-16(49(42,43)44)11-19(24(18)34)33(37)38/h2-11,22,34-35H,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)</moldb-inchi>
  <moldb-inchikey>HRYZWOKOEHINIF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">749.0152118</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.3</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>CHEM339631</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>4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)diazenyl]-5-[(3-methyl-5-oxo-1-phenyl-4h-pyrazol-4-yl)diazenyl]naphthalene-2,7-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>CED0294112</sync-id>
  <structure-inchikey>HRYZWOKOEHINIF-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:43:05Z</structure-indexed-at>
</compound>
