CHEBI:59049 - 2,3,6-trinitrophenol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,3,6-trinitrophenol
ChEBI ID CHEBI:59049
Definition Phenol substituted with nitro groups at both ortho-positions and at the meta-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H3N3O7
Net Charge 0
Average Mass 229.10390
Monoisotopic Mass 228.99710
InChI InChI=1S/C6H3N3O7/c10-6-4(8(13)14)2-1-3(7(11)12)5(6)9(15)16/h1-2,10H
InChIKey UPOHJPYGIYINKG-UHFFFAOYSA-N
SMILES Oc1c(ccc(c1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
ChEBI Ontology
Outgoing 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 Numbers Types Sources
3149687 Beilstein Registry Number Beilstein
3149687 Reaxys Registry Number Reaxys
Last Modified
08 February 2016