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CHEBI:83679 - 2-[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid

ChEBI IDCHEBI:83679
ChEBI Name2-[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid
Stars
DefinitionAn organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino group at postion 2.
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(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)
InChIKeyCIGKZVUEZXGYSV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid (CHEBI:83679) is a aromatic amide (CHEBI:62733)
2-[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid (CHEBI:83679) is a ether (CHEBI:25698)
2-[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid (CHEBI:83679) is a organosulfonic acid (CHEBI:33551)
Incoming Relation(s)
(R)-metolachlor ESA (CHEBI:83680) is a 2-[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid (CHEBI:83679)
(S)-metolachlor ESA (CHEBI:83681) is a 2-[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid (CHEBI:83679)
IUPAC Name 
2-[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid