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CHEBI:83647 - (S)-metolachlor

ChEBI IDCHEBI:83647
ChEBI Name(S)-metolachlor
Stars
ASCII Name(S)-metolachlor
DefinitionThe (S)-enantiomer of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide.
Last Modified7 November 2014
Submitternamrata
DownloadsMolfile
FormulaC15H22ClNO2
Net Charge0
Average Mass283.799
Monoisotopic Mass283.13391
SMILESCCc1cccc(C)c1N(C(=O)CCl)[C@@H](C)COC
InChIInChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3/t12-/m0/s1
InChIKeyWVQBLGZPHOPPFO-LBPRGKRZSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-metolachlor (CHEBI:83647) is a 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide (CHEBI:83645)
(S)-metolachlor (CHEBI:83647) is enantiomer of (R)-metolachlor (CHEBI:83646)
Incoming Relation(s)
metolachlor (CHEBI:6902) has part (S)-metolachlor (CHEBI:83647)
(R)-metolachlor (CHEBI:83646) is enantiomer of (S)-metolachlor (CHEBI:83647)
IUPAC Name 
2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
Manual XrefsDatabases
s-metolachlorAlan Wood's Pesticides
1027PPDB
Registry NumbersSources
Reaxys:6483536Reaxys
CAS:87392-12-9ChemIDplus