CHEBI:81948 - tralkoxydim

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ChEBI Name tralkoxydim ChEBI ID CHEBI:81948 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H27NO3 Net Charge 0 Average Mass 329.43330 Monoisotopic Mass 329.19909 InChI InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,22H,6-7,10-11H2,1-5H3/b21-16+ InChIKey DQFPEYARZIQXRM-LTGZKZEYSA-N SMILES CCO\N=C(CC)\C1=C(O)CC(CC1=O)c1c(C)cc(C)cc1C ChEBI Ontology Outgoing tralkoxydim (CHEBI:81948) is a mixture (CHEBI:60004) Manual Xrefs Databases C18769 KEGG COMPOUND tralkoxydim Alan Wood's Pesticides View more database links Registry Number Type Source 87820-88-0 CAS Registry Number ChemIDplus Citation Type Source 10563889 PubMed citation Europe PMC Last Modified 20 December 2019

General Comment 2019-12-20 The structure of tralkoxydim indicates that E/Z isomerism is possible about the C-N bond. In the solid state, tralkoxydim exists in a twisted enol form (E-isomer). In non-polar solvents it exists as two tautomeric forms in rapid equilibrium: a planar enol form and an aminoenone form, with the latter predominating. In polar solvents tralkoxydim equilibrates between the two tautomers and the Z-oxime isomer.