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CHEBI:52697 - 1-hydroxy-1-oxo-3-methyl-3-butylbenziodoxazole

ChEBI IDCHEBI:52697
ChEBI Name1-hydroxy-1-oxo-3-methyl-3-butylbenziodoxazole
Stars
DefinitionA benziodoxazole compound having hydroxy and oxo substituents at the 1-position and methyl and n-butyl substituents at the 3-position.
Last Modified21 July 2010
SubmitterColin Batchelor
DownloadsMolfile
FormulaC11H16INO3
Net Charge0
Average Mass337.157
Monoisotopic Mass337.01749
SMILESCCCC[N+]1(C)OI(=O)([O-])c2ccccc21
InChIInChI=1S/C11H16INO3/c1-3-4-9-13(2)11-8-6-5-7-10(11)12(14,15)16-13/h5-8H,3-4,9H2,1-2H3
InChIKeySCFQOGPKAHRBQK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-hydroxy-1-oxo-3-methyl-3-butylbenziodoxazole (CHEBI:52697) is a benziodoxazole (CHEBI:52706)
IUPAC Name 
3-butyl-3-methyl-1,3-dihydro-1λ3,2,3-benziodoxazol-3-ium-1-olate 1-oxide
Citations