<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">122291</id>
  <title nil="true"/>
  <common-name>1-(4-Butoxynaphthyl)tetrahydrothiophenium perfluorobutanesulfonate</common-name>
  <description nil="true"/>
  <cas>209482-18-8</cas>
  <pubchem-id>21863809</pubchem-id>
  <chemical-formula>C22H23F9O4S2</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">2026-04-06T05:34:45Z</created-at>
  <updated-at type="dateTime">2026-05-21T04:18:44Z</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>[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCCCOC1=CC=C([S]2CCCC2)C2=CC=CC=C12</moldb-smiles>
  <moldb-formula>C22H23F9O4S2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H23OS.C4HF9O3S/c1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h4-5,8-11H,2-3,6-7,12-14H2,1H3;(H,14,15,16)/q+1;/p-1</moldb-inchi>
  <moldb-inchikey>WNDABSCBNOUSTE-UHFFFAOYSA-M</moldb-inchikey>
  <moldb-average-mass type="decimal">586.53</moldb-average-mass>
  <moldb-mono-mass type="decimal">586.0894052</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>10607243</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>CHEM118184</chemdb-id>
  <dsstox-id>DTXSID20883034</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00109640</susdat-id>
  <iupac>1-(4-Butoxynaphthalen-1-yl)thiolan-1-ium 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"/>
</compound>
