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CHEBI:19331 - (2,4,5-trichlorophenoxy)acetate

ChEBI IDCHEBI:19331
ChEBI Name(2,4,5-trichlorophenoxy)acetate
Stars
DefinitionA chlorophenoxyacetate anion obtained by deprotonation of the carboxy group of (2,4,5-trichlorophenoxy)acetic acid.
Last Modified21 July 2014
DownloadsMolfile
FormulaC8H4Cl3O3
Net Charge-1
Average Mass254.476
Monoisotopic Mass252.92315
SMILESO=C([O-])COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)/p-1
InChIKeySMYMJHWAQXWPDB-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
(2,4,5-trichlorophenoxy)acetate (CHEBI:19331) is a chlorophenoxyacetate anion (CHEBI:23151)
(2,4,5-trichlorophenoxy)acetate (CHEBI:19331) is conjugate base of (2,4,5-trichlorophenoxy)acetic acid (CHEBI:27903)
Incoming Relation(s)
(2,4,5-trichlorophenoxy)acetic acid (CHEBI:27903) is conjugate acid of (2,4,5-trichlorophenoxy)acetate (CHEBI:19331)
IUPAC Name 
(2,4,5-trichlorophenoxy)acetate
Synonym  Source
2,4,5-trichlorophenoxyacetateChEBI
Manual XrefsDatabases
c0361UM-BBD
CPD-10896MetaCyc
Registry NumbersSources
Gmelin:434053Gmelin