<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">90633</id>
  <title nil="true"/>
  <common-name>4,4'''-Bis[(2-butyloctyl)oxy]-1,1':4',1'':4'',1'''-quaterphenyl</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>86734</pubchem-id>
  <chemical-formula>C48H66O2</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">2026-04-05T00:24:10Z</created-at>
  <updated-at type="dateTime">2026-04-05T00:24:10Z</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>CCCCCCC(CCCC)COC1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(OCC(CCCC)CCCCCC)C=C1</moldb-smiles>
  <moldb-formula>C48H66O2</moldb-formula>
  <moldb-inchi>InChI=1/C48H66O2/c1-5-9-13-15-19-39(17-11-7-3)37-49-47-33-29-45(30-34-47)43-25-21-41(22-26-43)42-23-27-44(28-24-42)46-31-35-48(36-32-46)50-38-40(18-12-8-4)20-16-14-10-6-2/h21-36,39-40H,5-20,37-38H2,1-4H3</moldb-inchi>
  <moldb-inchikey>JMLYWQXLJYRYHL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">675.054</moldb-average-mass>
  <moldb-mono-mass type="decimal">674.5062814</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>CHEM086526</chemdb-id>
  <dsstox-id>DTXSID40939825</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00051754</susdat-id>
  <iupac nil="true"/>
  <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>
