<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">66574</id>
  <title nil="true"/>
  <common-name>Disodium n-decyldiphenyl ether disulfonate</common-name>
  <description nil="true"/>
  <cas>36445-71-3</cas>
  <pubchem-id>22833332</pubchem-id>
  <chemical-formula>C22H30O7S2</chemical-formula>
  <weight>514.6</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">2026-04-03T06:51:46Z</created-at>
  <updated-at type="dateTime">2026-04-17T16:56:55Z</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+].CCCCCCCCCC*.[O-]S(*)(=O)=O.[O-]S(*)(=O)=O.O(C1=CC=CC=C1)C1=CC=CC=C1 |c:21,23,28,30,t:19,26,lp:13:3,16:2,17:2,18:3,21:2,22:2,23:2,m:12:31.32.33.34.35,15:27.28.29,20:31.32.33|</moldb-smiles>
  <moldb-formula>C22H30O7S2</moldb-formula>
  <moldb-inchi>InChI=1S/C22H30O7S2/c1-2-3-4-5-6-7-8-9-13-18-14-12-16-20(22(18)31(26,27)28)29-19-15-10-11-17-21(19)30(23,24)25/h10-12,14-17H,2-9,13H2,1H3,(H,23,24,25)(H,26,27,28)</moldb-inchi>
  <moldb-inchikey>HXOSOIUOLGXZFL-UHFFFAOYSA-L</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">470.143295</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>17215462</chemspider-id>
  <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>CHEM062467</chemdb-id>
  <dsstox-id>DTXSID9027990</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00019466</susdat-id>
  <iupac nil="true"/>
</compound>
