<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">277179</id>
  <title nil="true"/>
  <common-name>4-o-[[(z)-4-butoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-o-butyl (z)-but-2-enedioate</common-name>
  <description>4-o-[[(z)-4-butoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-o-butyl (z)-but-2-enedioate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It is categorized as a lipid and lipid-like molecule with the formula C32H56O8Sn. With an average molecular weight of 687.50 g/mol, 4-o-[[(z)-4-butoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-o-butyl (z)-but-2-enedioate is a heavy molecule.</description>
  <cas>29575-02-8</cas>
  <pubchem-id>16684205</pubchem-id>
  <chemical-formula>C32H56O8Sn</chemical-formula>
  <weight>687.5</weight>
  <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">2026-08-26T16:59:37Z</created-at>
  <updated-at type="dateTime">2026-08-26T16:59:37Z</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>CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C=CC(=O)OCCCC)OC(=O)C=CC(=O)OCCCC</moldb-smiles>
  <moldb-formula>C32H56O8Sn</moldb-formula>
  <moldb-inchi>InChI=1S/2C8H12O4.2C8H17.Sn/c2*1-2-3-6-12-8(11)5-4-7(9)10;2*1-3-5-7-8-6-4-2;/h2*4-5H,2-3,6H2,1H3,(H,9,10);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*5-4-;;;</moldb-inchi>
  <moldb-inchikey>GKOTWPKLOWTGAG-NRFIWDAESA-L</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">688.299721</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>CHEM273072</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>4-o-[[(z)-4-butoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-o-butyl (z)-but-2-enedioate</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"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Fatty Acyls</klass>
  <subklass>Fatty acid esters</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0229346</sync-id>
  <structure-inchikey>GKOTWPKLOWTGAG-UHFFFAOYSA-L</structure-inchikey>
  <structure-fingerprint>40001000000000000800000000000000010000000000000400000000000000000000002000000000000000000000000000000000000000000000000000020000000000400000000010000000000000020000000000300000200000000000000000020010000000000000000000000000000080000000000000000000000000000000040004000000000000000010000000000080000000000000000000000000000000008000000000000000000000008000008000000000000000000000000000000000008000000000000000020000000000000000002000000000000008000000000000000000000000000010400000000000000000000800000002000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAApAAAAKAAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:52:54Z</structure-indexed-at>
</compound>
