Compound Identification
SMILES
OC1=C(C#N)C(O)=C(C#N)C(O)=C1C#N
InChIKey
InChIKey=KKCZOXVRAOBMOU-UHFFFAOYSA-N
Formula
C9H3N3O3
Mass
201.141
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Benzenetriols and derivatives
- Level 5 Phloroglucinols and derivatives
-
Subclass
Benzenetriols and derivatives
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenetriols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phloroglucinols and derivatives
Alternative Parents
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phloroglucinol derivative - Benzonitrile - Monocyclic benzene moiety - Polyol - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phloroglucinols and derivatives. These are compounds containing a phloroglucinol (benzene-1,3,5-triol) moiety, which consists of a benzene ring bearing one hydroxyl group at positions 1,3, and 5.
External Descriptors
Not available