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CHEBI:83452 - acetochlor ESA

ChEBI IDCHEBI:83452
ChEBI Nameacetochlor ESA
Stars
DefinitionAn organosulfonic acid that is 2-oxoethanesulfonic acid substituted by an (ethoxymethyl)(2-ethyl-6-methylphenyl)amino group at position 2.
Last Modified5 November 2014
DownloadsMolfile
FormulaC14H21NO5S
Net Charge0
Average Mass315.391
Monoisotopic Mass315.11404
SMILESCCOCN(C(=O)CS(=O)(=O)O)c1c(C)cccc1CC
InChIInChI=1S/C14H21NO5S/c1-4-12-8-6-7-11(3)14(12)15(10-20-5-2)13(16)9-21(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19)
InChIKeyHXAIQOCRALNGKB-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)
acetochlor ESA (CHEBI:83452) has role marine xenobiotic metabolite (CHEBI:83399)
acetochlor ESA (CHEBI:83452) is a aromatic amide (CHEBI:62733)
acetochlor ESA (CHEBI:83452) is a ether (CHEBI:25698)
acetochlor ESA (CHEBI:83452) is a organosulfonic acid (CHEBI:33551)
IUPAC Name 
2-[(ethoxymethyl)(2-ethyl-6-methylphenyl)amino]-2-oxoethanesulfonic acid
Synonym  Source
acetochlor ethanesulfonic acidChEBI
Registry NumbersSources
Reaxys:7826743Reaxys
Citations