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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:08 UTC
Update Date2025-03-25 01:01:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251989
Frequency0.5
Structure
Chemical FormulaC7H3Cl5O3S
Molecular Mass341.8246
SMILESO=S(=O)(Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl
InChI KeyKSKFSEOSYSPAQP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent dichlorobenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl chlorides
  • aryl chlorides
  • hydrocarbon derivatives
  • organic oxides
  • organochlorides
  • organooxygen compounds
  • organosulfonic acid esters
  • phenoxy compounds
  • sulfonic acid esters
  • sulfonyls
  • trihalomethanes
    • Substituents
  • organosulfonic acid or derivatives
  • alkyl chloride
  • organochloride
  • organosulfur compound
  • organohalogen compound
  • 1,3-dichlorobenzene
  • sulfonic acid ester
  • organic oxide
  • alkyl halide
  • aryl chloride
  • halomethane
  • trihalomethane
  • organosulfonic acid ester
  • aryl halide
  • aromatic homomonocyclic compound
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound