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CHEBI:39091 - acrinathrin

ChEBI IDCHEBI:39091
ChEBI Nameacrinathrin
Stars
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H21F6NO5
Net Charge0
Average Mass541.444
Monoisotopic Mass541.13239
SMILESCC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1
InChIKeyYLFSVIMMRPNPFK-WEQBUNFVSA-N
Roles Classification
Biological Role:
Applications:
ChEBI Ontology
Outgoing Relation(s)
acrinathrin (CHEBI:39091) has functional parent diphenyl ether (CHEBI:39258)
acrinathrin (CHEBI:39091) has role pyrethroid ester acaricide (CHEBI:39259)
acrinathrin (CHEBI:39091) has role pyrethroid ester insecticide (CHEBI:39116)
acrinathrin (CHEBI:39091) is a cyclopropanecarboxylate ester (CHEBI:50351)
acrinathrin (CHEBI:39091) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
(S)-cyano(3-phenoxyphenyl)methyl (1R,3S)-2,2-dimethyl-3-{(1Z)-3-oxo-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]prop-1-en-1-yl}cyclopropanecarboxylate
Synonym  Source
AcrinathrinChemIDplus
Manual XrefsDatabases
C18408KEGG COMPOUND
16PPDB
Registry NumbersSources
Beilstein:9301805Beilstein
CAS:101007-06-1ChemIDplus
CAS:101007-06-1KEGG COMPOUND