<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">123342</id>
  <title nil="true"/>
  <common-name>1,2-Ethanediyl bis(perfluorobutanesulfonate)</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>13172602</pubchem-id>
  <chemical-formula>C10H4F18O6S2</chemical-formula>
  <weight>626.2</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">2026-04-06T06:43:07Z</created-at>
  <updated-at type="dateTime">2026-08-26T19:34:28Z</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>FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)OCCOS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C10H4F18O6S2</moldb-formula>
  <moldb-inchi>InChI=1S/C10H4F18O6S2/c11-3(12,7(19,20)21)5(15,16)9(25,26)35(29,30)33-1-2-34-36(31,32)10(27,28)6(17,18)4(13,14)8(22,23)24/h1-2H2</moldb-inchi>
  <moldb-inchikey>BDECUGBELKMLSH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">626.23</moldb-average-mass>
  <moldb-mono-mass type="decimal">625.9161878</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.5</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>CHEM119235</chemdb-id>
  <dsstox-id>DTXSID60897019</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00111162</susdat-id>
  <iupac>Ethane-1,2-diyl bis(nonafluorobutane-1-sulfonate)</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>Organohalogen compounds</superklass>
  <klass>Alkyl halides</klass>
  <subklass>Alkyl fluorides</subklass>
  <paper-count type="integer">1</paper-count>
  <sync-id>CED0068407</sync-id>
  <structure-inchikey>BDECUGBELKMLSH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000100000801000002000000000000000000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000100000000000000000000040000020000000000100000000000000000000000000000000000000000000000200000008000000000000000400000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000002000000000000040000080000000000001000000000000000000000000000000000000000000000000000000000001000000000000002000000000000000000000000800000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������$���#���€�	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ������(�������(������� ������`�������`������� ������ ������(�������(������� ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ������ ����	� ����	� ����	� ������������������������������	��
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  <structure-indexed-at type="dateTime">2026-09-19T04:46:32Z</structure-indexed-at>
</compound>
