EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:59049 - 2,3,6-trinitrophenol

ChEBI IDCHEBI:59049
ChEBI Name2,3,6-trinitrophenol
Stars
DefinitionPhenol substituted with nitro groups at both ortho-positions and at the meta-position.
Last Modified8 February 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H3N3O7
Net Charge0
Average Mass229.104
Monoisotopic Mass228.99710
SMILESO=[N+]([O-])c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1O
InChIInChI=1S/C6H3N3O7/c10-6-4(8(13)14)2-1-3(7(11)12)5(6)9(15)16/h1-2,10H
InChIKeyUPOHJPYGIYINKG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,3,6-trinitrophenol (CHEBI:59049) has functional parent phenol (CHEBI:15882)
2,3,6-trinitrophenol (CHEBI:59049) is a C-nitro compound (CHEBI:35716)
IUPAC Name 
2,3,6-trinitrophenol
Registry NumbersSources
Reaxys:3149687Reaxys