Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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 Number
Type
Source
3149687
Reaxys Registry Number
Reaxys
Last Modified
08 February 2016