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CHEBI:83655 - (S)-metolachlor OXA

ChEBI IDCHEBI:83655
ChEBI Name(S)-metolachlor OXA
Stars
ASCII Name(S)-metolachlor OXA
DefinitionThe (S)-enantiomer of [(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino](oxo)acetic acid.
Last Modified7 November 2014
Submitternamrata
DownloadsMolfile
FormulaC15H21NO4
Net Charge0
Average Mass279.336
Monoisotopic Mass279.14706
SMILESCCc1cccc(C)c1N(C(=O)C(=O)O)[C@@H](C)COC
InChIInChI=1S/C15H21NO4/c1-5-12-8-6-7-10(2)13(12)16(11(3)9-20-4)14(17)15(18)19/h6-8,11H,5,9H2,1-4H3,(H,18,19)/t11-/m0/s1
InChIKeyLNOOSYCKMKZOJB-NSHDSACASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(S)-metolachlor OXA (CHEBI:83655) is a [(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino](oxo)acetic acid (CHEBI:83652)
(S)-metolachlor OXA (CHEBI:83655) is enantiomer of (R)-metolachlor OXA (CHEBI:83653)
Incoming Relation(s)
metolachlor OXA (CHEBI:83462) has part (S)-metolachlor OXA (CHEBI:83655)
(R)-metolachlor OXA (CHEBI:83653) is enantiomer of (S)-metolachlor OXA (CHEBI:83655)
IUPAC Name 
{(2-ethyl-6-methylphenyl)[(2S)-1-methoxypropan-2-yl]amino}(oxo)acetic acid
Registry NumbersSources
Reaxys:8493727Reaxys