<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">123897</id>
  <title nil="true"/>
  <common-name>Bis((perfluorobutyl)ethyl) 2-[(carboxymethyl)thio]butanedioate lithium salt</common-name>
  <description nil="true"/>
  <cas>503534-33-6</cas>
  <pubchem-id>138394521</pubchem-id>
  <chemical-formula>C18H13F18LiO6S</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">2026-04-06T07:20:05Z</created-at>
  <updated-at type="dateTime">2026-05-21T07:41:15Z</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>[Li+].[H]C([H])(OC(=O)CC(SCC([O-])=O)C(=O)OC([H])([H])C([H])([H])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C([H])([H])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles>
  <moldb-formula>C18H13F18LiO6S</moldb-formula>
  <moldb-inchi>InChI=1/C18H14F18O6S.Li/c19-11(20,13(23,24)15(27,28)17(31,32)33)1-3-41-9(39)5-7(43-6-8(37)38)10(40)42-4-2-12(21,22)14(25,26)16(29,30)18(34,35)36;/h7H,1-6H2,(H,37,38);/q;+1/p-1</moldb-inchi>
  <moldb-inchikey>ZJVXUOBDUMHYSB-UHFFFAOYSA-M</moldb-inchikey>
  <moldb-average-mass type="decimal">706.27</moldb-average-mass>
  <moldb-mono-mass type="decimal">706.0305466</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>95600462</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>CHEM119790</chemdb-id>
  <dsstox-id>DTXSID90893549</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00112058</susdat-id>
  <iupac>Lithium ({1,4-bis[(3,3,4,4,5,5,6,6,6-nonafluorohexyl)oxy]-1,4-dioxobutan-2-yl}sulfanyl)acetate</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>
