<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">89899</id>
  <title nil="true"/>
  <common-name>Dibutyl[[3-[[dibutyl[[2-[(octyloxy)carbonyl]ethyl]thio]stannyl]thio]propionyl]oxy](octyloxy)stannane</common-name>
  <description>Dibutyl[[3-[[dibutyl[[2-[(octyloxy)carbonyl]ethyl]thio]stannyl]thio]propionyl]oxy](octyloxy)stannane belongs to the carboxylic acid derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 916.58 g/mol, Dibutyl[[3-[[dibutyl[[2-[(octyloxy)carbonyl]ethyl]thio]stannyl]thio]propionyl]oxy](octyloxy)stannane is a heavy molecule. Its chemical formula is C38H78O5S2Sn2.</description>
  <cas>21986-78-7</cas>
  <pubchem-id>16684046</pubchem-id>
  <chemical-formula>C38H78O5S2Sn2</chemical-formula>
  <weight>916.6</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">2026-04-04T23:59:48Z</created-at>
  <updated-at type="dateTime">2026-08-27T17:59:43Z</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>CCCCCCCCOC(=O)CCS[Sn](CCCC)(CCCC)SCCC(=O)O[Sn](CCCC)(CCCC)OCCCCCCCC</moldb-smiles>
  <moldb-formula>C38H78O5S2Sn2</moldb-formula>
  <moldb-inchi>InChI=1/C11H22O2S.C8H17O.4C4H9.C3H6O2S.2Sn/c1-2-3-4-5-6-7-9-13-11(12)8-10-14;1-2-3-4-5-6-7-8-9;4*1-3-4-2;4-3(5)1-2-6;;/h14H,2-10H2,1H3;2-8H2,1H3;4*1,3-4H2,2H3;6H,1-2H2,(H,4,5);;/q;-1;;;;;;2*+2/p-3/rC38H78O5S2Sn2/c1-7-13-19-21-23-25-29-41-37(39)27-31-44-47(35-17-11-5,36-18-12-6)45-32-28-38(40)43-46(33-15-9-3,34-16-10-4)42-30-26-24-22-20-14-8-2/h7-36H2,1-6H3</moldb-inchi>
  <moldb-inchikey>UWIFBTKOEZYCIV-UHFFFAOYSA-K</moldb-inchikey>
  <moldb-average-mass type="decimal">916.58</moldb-average-mass>
  <moldb-mono-mass type="decimal">918.333457</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>CHEM085792</chemdb-id>
  <dsstox-id>DTXSID0066745</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00050885</susdat-id>
  <iupac>octyl 3-[dibutyl-[3-[dibutyl(octoxy)stannyl]oxy-3-oxopropyl]sulfanylstannyl]sulfanylpropanoate</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>Carboxylic acid derivatives</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0091712</sync-id>
  <structure-inchikey>UWIFBTKOEZYCIV-UHFFFAOYSA-K</structure-inchikey>
  <structure-fingerprint>40000010000000000800000000800000010000000000400000004000000000000000003400000000000000000000000000000000000000000000100000020000000000400001000010000000000000420000004000100000000000000000000000020010000000000000000000020000000000000000000000000000000000020000040000000000000000000050000000002080020000000000040000000000000000008000000000000002000000000000008000000000000000000000000000008000000000000000000008000000000000000000006000000000000008000000000000000080000000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAvAAAALgAAAIABBgBgAAAAAQMGAGAAAAAC
AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAA
AAACAggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYAYAAAAAICBgBgAAAAAgIQ
ACAAAAACMiAgAAAABAYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAED
BgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAQMQACAAAAACBgBgAAAA
AgIGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIIACgAAAADAjIgIAAAAAQGAGAA
AAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAABAwYAYAAAAAICBgBgAAAAAgIG
AGAAAAACAgYAYAAAAAEDCAAgAAAAAgYAYAAAAAICBgBgAAAAAgIGAGAAAAAC
AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAQMLAAEA
AQIAAgMAAwQABAUABQYABgcABwgACAkgCQooAgkLAAsMAAwNAA0OAA4PAA8Q
ABARABESAA4TABMUABQVABUWAA4XABcYABgZABkaABobKAIaHCAcHQAdHgAe
HwAfIAAgIQAdIgAiIwAjJAAkJQAdJgAmJwAnKAAoKQApKgAqKwArLAAsLQAt
LgBCAAAAABcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:32:55Z</structure-indexed-at>
</compound>
