<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">93373</id>
  <title nil="true"/>
  <common-name>Disodium 3,3'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis[benzenesulphonate]</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>105927</pubchem-id>
  <chemical-formula>C29H28N6O9S2</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">2026-04-05T02:05:53Z</created-at>
  <updated-at type="dateTime">2026-04-05T02:05:53Z</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>[Na+].[Na+].COC1=CC(N=NC2=CC(=CC=C2)S([O-])(=O)=O)=C(C)C=C1NC(=O)NC1=CC(C)=C(C=C1OC)N=NC1=CC=CC(=C1)S([O-])(=O)=O</moldb-smiles>
  <moldb-formula>C29H28N6O9S2</moldb-formula>
  <moldb-inchi>InChI=1/C29H28N6O9S2.2Na/c1-17-11-25(27(43-3)15-23(17)34-32-19-7-5-9-21(13-19)45(37,38)39)30-29(36)31-26-12-18(2)24(16-28(26)44-4)35-33-20-8-6-10-22(14-20)46(40,41)42;;/h5-16H,1-4H3,(H2,30,31,36)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2</moldb-inchi>
  <moldb-inchikey>ZIHPIDRXJQKX-UHFFFAOYSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal">712.66</moldb-average-mass>
  <moldb-mono-mass type="decimal">668.1359185</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>CHEM089266</chemdb-id>
  <dsstox-id>DTXSID8070752</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00054942</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>
