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<compound>
  <id type="integer">350223</id>
  <title nil="true"/>
  <common-name>5-[4-(4-sulfophenyl)triazol-2-yl]-2-[(e)-2-[2-sulfo-4-[4-(4-sulfophenyl)triazol-2-yl]phenyl]ethenyl]benzenesulfonic acid</common-name>
  <description>5-[4-(4-sulfophenyl)triazol-2-yl]-2-[(e)-2-[2-sulfo-4-[4-(4-sulfophenyl)triazol-2-yl]phenyl]ethenyl]benzenesulfonic acid has the chemical formula C30H22N6O12S4. With an average molecular weight of 786.80 g/mol, 5-[4-(4-sulfophenyl)triazol-2-yl]-2-[(e)-2-[2-sulfo-4-[4-(4-sulfophenyl)triazol-2-yl]phenyl]ethenyl]benzenesulfonic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>5750421</pubchem-id>
  <chemical-formula>C30H22N6O12S4</chemical-formula>
  <weight>786.8</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">2026-08-31T15:09:41Z</created-at>
  <updated-at type="dateTime">2026-08-31T15:09:41Z</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>C1=CC(=CC=C1C2=NN(N=C2)C3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N5N=CC(=N5)C6=CC=C(C=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C30H22N6O12S4</moldb-formula>
  <moldb-inchi>InChI=1S/C30H22N6O12S4/c37-49(38,39)25-11-5-19(6-12-25)27-17-31-35(33-27)23-9-3-21(29(15-23)51(43,44)45)1-2-22-4-10-24(16-30(22)52(46,47)48)36-32-18-28(34-36)20-7-13-26(14-8-20)50(40,41)42/h1-18H,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)/b2-1+</moldb-inchi>
  <moldb-inchikey>AAWPIVRLSWKPJI-OWOJBTEDSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">786.0178549</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.5</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>CHEM346116</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>5-[4-(4-sulfophenyl)triazol-2-yl]-2-[(e)-2-[2-sulfo-4-[4-(4-sulfophenyl)triazol-2-yl]phenyl]ethenyl]benzenesulfonic 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>Phenylpropanoids and polyketides</superklass>
  <klass>Stilbenes</klass>
  <subklass>Sulfonated stilbenes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0300530</sync-id>
  <structure-inchikey>AAWPIVRLSWKPJI-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:48:12Z</structure-indexed-at>
</compound>
