Compound Identification
SMILES
COC1=C2C=C(O)C=C3C(=O)C=C4C5=C(C=CC=C5O)C(O)=C(C1=O)C4=C23
InChIKey
InChIKey=VNGWJTJZYUSNNL-UHFFFAOYSA-N
Formula
C21H12O6
Mass
360.321
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Pyrenes
- Subclass Benzopyrenes
-
Class
Pyrenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Pyrenes
Subclass
Benzopyrenes
Intermediate Tree Nodes
Not available
Direct Parent
Benzopyrenes
Alternative Parents
Chrysenes Phenanthrols Anthracenes Naphthols and derivatives Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzo-a-pyrene - Chrysene - Phenanthrol - Anthracene - Phenanthrene - 1-naphthol - 2-naphthol - Phenol ether - Anisole - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Vinylogous acid - Polyol - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system.
External Descriptors
Not available