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CHEBI:81928 - Ioxynil octanoate

ChEBI IDCHEBI:81928
ChEBI NameIoxynil octanoate
Stars
DownloadsMolfile
FormulaC15H17I2NO2
Net Charge0
Average Mass497.114
Monoisotopic Mass496.93487
SMILESCCCCCCCC(=O)Oc1c(I)cc(C#N)cc1I
InChIInChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3
InChIKeyQBEXFUOWUYCXNI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ioxynil octanoate (CHEBI:81928) is a benzoate ester (CHEBI:36054)
Ioxynil octanoate (CHEBI:81928) is a phenols (CHEBI:33853)
Manual XrefsDatabases
C18740KEGG COMPOUND
1063PPDB
Registry NumbersSources
CAS:3861-47-0KEGG COMPOUND