| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:14:36 UTC |
|---|
| Update Date | 2025-03-25 00:59:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02234670 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H10Cl2O3S |
|---|
| Molecular Mass | 315.9728 |
|---|
| SMILES | Cc1ccccc1OS(=O)(=O)c1ccc(Cl)cc1Cl |
|---|
| InChI Key | VOXXDMBXSVCDIZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonic acids and derivatives |
|---|
| Direct Parent | benzenesulfonate esters |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aryl chloridesarylsulfonic acids and derivativesbenzenesulfonyl compoundsdichlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsorganosulfonic acid estersphenoxy compoundssulfonylstoluenes |
|---|
| Substituents | organosulfonic acid or derivativesbenzenesulfonate esterorganochlorideorganosulfur compoundorganohalogen compound1,3-dichlorobenzeneorganic oxidebenzenesulfonyl grouparyl chloridechlorobenzeneorganosulfonic acid esteraryl halidearomatic homomonocyclic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativehalobenzenephenoxy compoundtolueneorganooxygen compound |
|---|
