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CHEBI:82269 - TCA-ethadyl

ChEBI IDCHEBI:82269
ChEBI NameTCA-ethadyl
Stars
Last Modified12 May 2016
DownloadsMolfile
FormulaC6H4Cl6O4
Net Charge0
Average Mass352.812
Monoisotopic Mass349.82407
SMILESO=C(OCCOC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C6H4Cl6O4/c7-5(8,9)3(13)15-1-2-16-4(14)6(10,11)12/h1-2H2
InChIKeySSDZRWBPFCFZGB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
TCA-ethadyl (CHEBI:82269) has functional parent ethylene glycol (CHEBI:30742)
TCA-ethadyl (CHEBI:82269) has functional parent trichloroacetic acid (CHEBI:30956)
TCA-ethadyl (CHEBI:82269) is a diester (CHEBI:51307)
Manual XrefsDatabases
C19149KEGG COMPOUND
Registry NumbersSources
CAS:2514-53-6KEGG COMPOUND