Compound Identification
SMILES
CC1=CC([O-])=C2C(=O)C3=C(O)C=C(O)C4=C3C3=C2C1=C1C(CO)=CC(O)=C2C(=O)C5=C(O)C=C(O)C4=C5C3=C12
InChIKey
InChIKey=YXBUQQDFTYOHQI-UHFFFAOYSA-M
Formula
C30H15O9
Mass
519.442
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
Phenanthro-perylenequinones Triphenylenes Chrysenes Phenanthrols Anthracenes Naphthols and derivatives Phenoxides 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Primary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols Organic anions
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzo-a-pyrene - Benzo-e-pyrene - Phenanthro-perylenequinone - Perylenequinone - Chrysene - Triphenylene - Phenanthrol - Anthracene - Phenanthrene - 2-naphthol - 1-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Phenoxide - Vinylogous acid - Polyol - Primary alcohol - Aromatic alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organic anion - 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