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CHEBI:83681 - (S)-metolachlor ESA

ChEBI IDCHEBI:83681
ChEBI Name(S)-metolachlor ESA
Stars
ASCII Name(S)-metolachlor ESA
DefinitionThe (S)-enantiomer of 2-[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid.
Last Modified10 November 2014
Submitternamrata
DownloadsMolfile
FormulaC15H23NO5S
Net Charge0
Average Mass329.418
Monoisotopic Mass329.12969
SMILESCCc1cccc(C)c1N(C(=O)CS(=O)(=O)O)[C@@H](C)COC
InChIInChI=1S/C15H23NO5S/c1-5-13-8-6-7-11(2)15(13)16(12(3)9-21-4)14(17)10-22(18,19)20/h6-8,12H,5,9-10H2,1-4H3,(H,18,19,20)/t12-/m0/s1
InChIKeyCIGKZVUEZXGYSV-LBPRGKRZSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-metolachlor ESA (CHEBI:83681) is a 2-[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid (CHEBI:83679)
(S)-metolachlor ESA (CHEBI:83681) is enantiomer of (R)-metolachlor ESA (CHEBI:83680)
Incoming Relation(s)
metolachlor ESA (CHEBI:83472) has part (S)-metolachlor ESA (CHEBI:83681)
(R)-metolachlor ESA (CHEBI:83680) is enantiomer of (S)-metolachlor ESA (CHEBI:83681)
IUPAC Name 
2-{(2-ethyl-6-methylphenyl)[(2S)-1-methoxypropan-2-yl]amino}-2-oxoethanesulfonic acid
Registry NumbersSources
Reaxys:8504164Reaxys