<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">98512</id>
  <title nil="true"/>
  <common-name>Tetrasodium 7,7'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bisnaphthalene-1,3-disulphonate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id nil="true"/>
  <chemical-formula>C35H28N6O15S4</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">2026-04-05T06:09:58Z</created-at>
  <updated-at type="dateTime">2026-04-05T06:09:58Z</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+].[Na+].[Na+].COC1=C(NC(=O)NC2=C(OC)C=C(C=C2)N=NC2=CC=C3C=C(C=C(C3=C2)S([O-])(=O)=O)S([O-])(=O)=O)C=CC(=C1)N=NC1=CC=C2C=C(C=C(C2=C1)S([O-])(=O)=O)S([O-])(=O)=O</moldb-smiles>
  <moldb-formula>C35H28N6O15S4</moldb-formula>
  <moldb-inchi>InChI=1/C35H28N6O15S4.4Na/c1-55-31-15-23(40-38-21-5-3-19-11-25(57(43,44)45)17-33(27(19)13-21)59(49,50)51)7-9-29(31)36-35(42)37-30-10-8-24(16-32(30)56-2)41-39-22-6-4-20-12-26(58(46,47)48)18-34(28(20)14-22)60(52,53)54;;;;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4</moldb-inchi>
  <moldb-inchikey>IYQIZSSDYZJUES-UHFFFAOYSA-J</moldb-inchikey>
  <moldb-average-mass type="decimal">988.8</moldb-average-mass>
  <moldb-mono-mass type="decimal">900.0495482</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>CHEM094405</chemdb-id>
  <dsstox-id>DTXSID80889956</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00061075</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>
