<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">66525</id>
  <title nil="true"/>
  <common-name>Sodium 4-(perfluoro(3,4-dimethylhex-3-en-2-yloxy))benzene-1-sulfonate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>53438025</pubchem-id>
  <chemical-formula>C14H5F15O4S1</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">2026-04-03T06:45:17Z</created-at>
  <updated-at type="dateTime">2026-05-20T22:29:47Z</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+].[O-]S(=O)(=O)C1=CC=C(OC(F)(C(=C(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C=C1</moldb-smiles>
  <moldb-formula>C14H5F15O4S1</moldb-formula>
  <moldb-inchi>InChI=1S/C14H5F15O4S/c15-9(16,13(24,25)26)7(11(18,19)20)8(12(21,22)23)10(17,14(27,28)29)33-5-1-3-6(4-2-5)34(30,31)32/h1-4H,(H,30,31,32)/b8-7+</moldb-inchi>
  <moldb-inchikey>GZRNRYCQJMKNSM-UHFFFAOYSA-M</moldb-inchikey>
  <moldb-average-mass type="decimal">576.21</moldb-average-mass>
  <moldb-mono-mass type="decimal">553.966902</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4896917</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>CHEM062418</chemdb-id>
  <dsstox-id>DTXSID60881130</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00019332</susdat-id>
  <iupac>sodium;4-[1,1,1,2,5,5,6,6,6-nonafluoro-3,4-bis(trifluoromethyl)hex-3-en-2-yl]oxybenzenesulfonate</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"/>
</compound>
