<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">91634</id>
  <title nil="true"/>
  <common-name>Butyltris[(1-oxodocosyl)oxy]stannane</common-name>
  <description>Butyltris[(1-oxodocosyl)oxy]stannane belongs to the tricarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C70H138O6Sn. With an average molecular weight of 1,195 g/mol, Butyltris[(1-oxodocosyl)oxy]stannane is a heavy molecule.</description>
  <cas>58636-10-5</cas>
  <pubchem-id>16684316</pubchem-id>
  <chemical-formula>C70H138O6Sn</chemical-formula>
  <weight>1194.5</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">2026-04-05T00:58:13Z</created-at>
  <updated-at type="dateTime">2026-08-26T17:03:59Z</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>CCCCCCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC</moldb-smiles>
  <moldb-formula>C70H138O6Sn</moldb-formula>
  <moldb-inchi>InChI=1/3C22H44O2.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-3-4-2;/h3*2-21H2,1H3,(H,23,24);1,3-4H2,2H3;/q;;;;+3/p-3/rC70H138O6Sn/c1-5-9-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-68(71)74-77(67-12-8-4,75-69(72)65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-10-6-2)76-70(73)66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-11-7-3/h5-67H2,1-4H3</moldb-inchi>
  <moldb-inchikey>VBGJSFNCACJCBQ-UHFFFAOYSA-K</moldb-inchikey>
  <moldb-average-mass type="decimal">1194.578</moldb-average-mass>
  <moldb-mono-mass type="decimal">1194.951537</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>CHEM087527</chemdb-id>
  <dsstox-id>DTXSID3069279</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00052931</susdat-id>
  <iupac>[butyl-di(docosanoyloxy)stannyl] docosanoate</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">0</paper-count>
  <sync-id>CED0185938</sync-id>
  <structure-inchikey>VBGJSFNCACJCBQ-UHFFFAOYSA-K</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000000000000000012000000000000000000000000000000000000000000000000000020000000000000000000010000000000000020000000000100000000000000000000000020010000000000000000000000000008000000000000000000000000000000000040000000000000000000050000000000080000000000000080001000000000000008000000000000002001000000000108000000000000000000000000000008000000000000000000008000000000000000000000000000000000000000000000000000000000000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������M���L���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�����2  ������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:33:59Z</structure-indexed-at>
</compound>
