Compound Identification
SMILES
COC1=C(OC)C2=CC([NH3+])=C3C4=CC5=C(OCO5)C=C4C=CC3=C2C=C1
InChIKey
InChIKey=DAEYWEQVPPRWDG-UHFFFAOYSA-O
Formula
C21H18NO4
Mass
348.377
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenanthrenes and derivatives
- Subclass Chrysenes
-
Class
Phenanthrenes and derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Chrysenes
Intermediate Tree Nodes
Not available
Direct Parent
Chrysenes
Alternative Parents
Naphthalenes Benzodioxoles Anisoles Alkyl aryl ethers Oxacyclic compounds Acetals Primary amines Organopnictogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chrysene - Naphthalene - Benzodioxole - Anisole - Alkyl aryl ether - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as chrysenes. These are compounds containing the polyaromatic chrysene moiety, which consists of a benzene ring fused to a phenanthrene ring system to form Benzo[a]phenanthrene.
External Descriptors
Not available