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CHEBI:83484 - dimethachlor ESA

ChEBI IDCHEBI:83484
ChEBI Namedimethachlor ESA
Stars
DefinitionAn organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2,6-dimethylphenyl)(2-methoxyethyl)amino group at position 2. It is a metabolite of the herbicide dimethachlor.
Last Modified12 November 2014
DownloadsMolfile
FormulaC13H19NO5S
Net Charge0
Average Mass301.364
Monoisotopic Mass301.09839
SMILESCOCCN(C(=O)CS(=O)(=O)O)c1c(C)cccc1C
InChIInChI=1S/C13H19NO5S/c1-10-5-4-6-11(2)13(10)14(7-8-19-3)12(15)9-20(16,17)18/h4-6H,7-9H2,1-3H3,(H,16,17,18)
InChIKeyRVSCDWJKJDBFRS-UHFFFAOYSA-N
Roles Classification
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
dimethachlor ESA (CHEBI:83484) has role marine xenobiotic metabolite (CHEBI:83399)
dimethachlor ESA (CHEBI:83484) is a aromatic amide (CHEBI:62733)
dimethachlor ESA (CHEBI:83484) is a ether (CHEBI:25698)
dimethachlor ESA (CHEBI:83484) is a organosulfonic acid (CHEBI:33551)
IUPAC Name 
2-[(2,6-dimethylphenyl)(2-methoxyethyl)amino]-2-oxoethanesulfonic acid
Citations