<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">123020</id>
  <title nil="true"/>
  <common-name>(4-Cyclohexylphenyl)(diphenyl)sulfanium nonafluorobutane-1-sulfonate</common-name>
  <description nil="true"/>
  <cas>425670-64-0</cas>
  <pubchem-id>21863813</pubchem-id>
  <chemical-formula>C28H25F9O3S2</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">2026-04-06T06:25:03Z</created-at>
  <updated-at type="dateTime">2026-05-21T06:10:33Z</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.C1CCC(CC1)C1=CC=C(C=C1)[S+](C1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C28H25F9O3S2</moldb-formula>
  <moldb-inchi>InChI=1S/C24H25S.C4HF9O3S/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h2-3,6-9,12-20H,1,4-5,10-11H2;(H,14,15,16)/q+1;/p-1</moldb-inchi>
  <moldb-inchikey>UFADEYDBOXASBQ-UHFFFAOYSA-M</moldb-inchikey>
  <moldb-average-mass type="decimal">644.61</moldb-average-mass>
  <moldb-mono-mass type="decimal">644.1101406</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>CHEM118913</chemdb-id>
  <dsstox-id>DTXSID50895605</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00110728</susdat-id>
  <iupac>(4-Cyclohexylphenyl)(diphenyl)sulfanium 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>
