| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:10 UTC |
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| Update Date | 2025-03-25 00:53:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201636 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H5Cl3O3S |
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| Molecular Mass | 273.9025 |
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| SMILES | Cc1c(Cl)cc(S(=O)(=O)O)c(Cl)c1Cl |
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| InChI Key | UOGYSDTVPMCUTR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzenesulfonic acids and derivatives |
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| Direct Parent | p-methylbenzenesulfonates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsaryl chloridesarylsulfonic acids and derivativesbenzenesulfonyl compoundschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganosulfonic acidssulfonylstoluenes |
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| Substituents | aryl chloridechlorobenzeneorganosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganochlorideorganosulfonic acidorganosulfur compoundorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativehalobenzenep-methylbenzenesulfonatetoluenebenzenesulfonyl group |
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