<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">102787</id>
  <title nil="true"/>
  <common-name>4,4''-(3H-2,1-benzoxathiol-3-ylidene)bis[[1,1'-biphenyl]-2-ol] S,S-dioxide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>44149274</pubchem-id>
  <chemical-formula>C31H22O5S</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">2026-04-05T09:56:09Z</created-at>
  <updated-at type="dateTime">2026-04-05T09:56:09Z</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>OC1=C(C=CC(=C1)C1(OS(=O)(=O)C2=CC=CC=C12)C1=CC(O)=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C31H22O5S</moldb-formula>
  <moldb-inchi>InChI=1/C31H22O5S/c32-28-19-23(15-17-25(28)21-9-3-1-4-10-21)31(27-13-7-8-14-30(27)37(34,35)36-31)24-16-18-26(29(33)20-24)22-11-5-2-6-12-22/h1-20,32-33H</moldb-inchi>
  <moldb-inchikey>VYWRHJRBZGVGCI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">506.57</moldb-average-mass>
  <moldb-mono-mass type="decimal">506.1187948</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>CHEM098680</chemdb-id>
  <dsstox-id>DTXSID70915516</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00066315</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"/>
</compound>
