<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">277213</id>
  <title nil="true"/>
  <common-name>2-[bis[2-(2-ethylhexanoyloxy)ethylsulfanyl]-methylstannyl]sulfanylethyl 2-ethylhexanoate</common-name>
  <description>2-[bis[2-(2-ethylhexanoyloxy)ethylsulfanyl]-methylstannyl]sulfanylethyl 2-ethylhexanoate belongs to the tricarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 743.70 g/mol, 2-[bis[2-(2-ethylhexanoyloxy)ethylsulfanyl]-methylstannyl]sulfanylethyl 2-ethylhexanoate is a heavy molecule. Its chemical formula is C31H60O6S3Sn.</description>
  <cas>67874-54-8</cas>
  <pubchem-id>106929</pubchem-id>
  <chemical-formula>C31H60O6S3Sn</chemical-formula>
  <weight>743.7</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">2026-08-26T17:01:45Z</created-at>
  <updated-at type="dateTime">2026-08-26T17:01:45Z</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>CCCCC(CC)C(=O)OCCS[Sn](C)(SCCOC(=O)C(CC)CCCC)SCCOC(=O)C(CC)CCCC</moldb-smiles>
  <moldb-formula>C31H60O6S3Sn</moldb-formula>
  <moldb-inchi>InChI=1S/3C10H20O2S.CH3.Sn/c3*1-3-5-6-9(4-2)10(11)12-7-8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3/p-3</moldb-inchi>
  <moldb-inchikey>YRULUXDRMGWMDA-UHFFFAOYSA-K</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">744.257406</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>CHEM273106</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>2-[bis[2-(2-ethylhexanoyloxy)ethylsulfanyl]-methylstannyl]sulfanylethyl 2-ethylhexanoate</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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Tricarboxylic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0229377</sync-id>
  <structure-inchikey>YRULUXDRMGWMDA-UHFFFAOYSA-K</structure-inchikey>
  <structure-fingerprint>40040000000000000000800000000800000010000000000000000000002000000000000002000000000000000000000000800000000000000000000000000000000000000000000000010000000000000220000000000100000000001000000000000020010000000000000000000000000000000000000000000000000000000000000040000000000000000000000000000002080000000000000000000000200000000400800000000000000000200000000000040000000000000000000000800000000000800000000000000008000000000000000000000000000000000000000000000000080004000000010400008000000000000008000000000000</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">2026-09-19T04:52:56Z</structure-indexed-at>
</compound>
