<?xml version="1.0" encoding="UTF-8"?>
<compound>
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  <title nil="true"/>
  <common-name>2-Dodecyl-9H-thioxanthen-9-one 10,10-dioxide</common-name>
  <description nil="true"/>
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  <pubchem-id>25090833</pubchem-id>
  <chemical-formula>C25H32O3S</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">2026-04-05T05:36:40Z</created-at>
  <updated-at type="dateTime">2026-04-05T05:36:40Z</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>CCCCCCCCCCCCC1=CC2=C(C=C1)S(=O)(=O)C1=CC=CC=C1C2=O</moldb-smiles>
  <moldb-formula>C25H32O3S</moldb-formula>
  <moldb-inchi>InChI=1/C25H32O3S/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-24-22(19-20)25(26)21-15-12-13-16-23(21)29(24,27)28/h12-13,15-19H,2-11,14H2,1H3</moldb-inchi>
  <moldb-inchikey>UTAWAWPYOGOZRM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">412.59</moldb-average-mass>
  <moldb-mono-mass type="decimal">412.2072159</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>CHEM093809</chemdb-id>
  <dsstox-id>DTXSID501002903</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00060362</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"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Benzothiopyrans</klass>
  <subklass>1-benzothiopyrans</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0130083</sync-id>
  <structure-inchikey>UTAWAWPYOGOZRM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000800800000000000000000000010000000000000000000002000220000000008000000000000000000000000000040000000000000000000000000100010000000000000020000000000040000000040000000000000020000000000000000000100000000000000000000000002080000000000000000040800000800000000008010000000000800100000000001000000000000000000000000000000000080000000000080008000000080000000000000000000000000000000000000000000000000000000000000000000220000000000001000000000000000040000000010004000008000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`������@(������@h�������@(������@(������@h�������@h�������� ������(�������(������@(������@h�������@h�������@h�������@h�������@(�������(�������(�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:37:49Z</structure-indexed-at>
</compound>
