<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">92302</id>
  <title nil="true"/>
  <common-name>3,3'-[(2,5-Dichloro-1,4-phenylene)bis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisphthalic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>21116952</pubchem-id>
  <chemical-formula>C30H22Cl2N6O12</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-05T01:23:01Z</created-at>
  <updated-at type="dateTime">2026-04-05T01:23:01Z</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>CC(=O)C(N=NC1=C(C(O)=O)C(=CC=C1)C(O)=O)C(=O)NC1=CC(Cl)=C(NC(=O)C(N=NC2=C(C(O)=O)C(=CC=C2)C(O)=O)C(C)=O)C=C1Cl</moldb-smiles>
  <moldb-formula>C30H22Cl2N6O12</moldb-formula>
  <moldb-inchi>InChI=1/C30H22Cl2N6O12/c1-11(39)23(25(41)37-35-17-7-3-5-13(27(43)44)21(17)29(47)48)33-19-9-16(32)20(10-15(19)31)34-24(12(2)40)26(42)38-36-18-8-4-6-14(28(45)46)22(18)30(49)50/h3-10,23-24,33-34H,1-2H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)</moldb-inchi>
  <moldb-inchikey>QDWHZSGFTFBNGB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">729.44</moldb-average-mass>
  <moldb-mono-mass type="decimal">728.0672755</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM088195</chemdb-id>
  <dsstox-id>DTXSID50886230</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00053699</susdat-id>
  <iupac nil="true"/>
  <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"/>
</compound>
