CHEBI:81928 - Ioxynil octanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ioxynil octanoate
ChEBI ID CHEBI:81928
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H17I2NO2
Net Charge 0
Average Mass 497.10990
Monoisotopic Mass 496.93487
InChI InChI=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
InChIKey QBEXFUOWUYCXNI-UHFFFAOYSA-N
SMILES CCCCCCCC(=O)Oc1c(I)cc(cc1I)C#N
ChEBI Ontology
Outgoing Ioxynil octanoate (CHEBI:81928) is a benzoate ester (CHEBI:36054)
Ioxynil octanoate (CHEBI:81928) is a phenols (CHEBI:33853)
Manual Xrefs Databases
1063 PPDB
C18740 KEGG COMPOUND
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Registry Number Type Source
3861-47-0 CAS Registry Number KEGG COMPOUND