Compound Identification
SMILES
CC(=O)OC1=CC(C)=C2C3=C(C)C=C(OC(C)=O)C4=CC5=C6C(=C(OC(C)=O)C=C5OC(C)=O)C5=C(OC(C)=O)C=C(OC(C)=O)C7=C5C(=C2C1=C7)C6=C34
InChIKey
InChIKey=YOXPUNVRTABBAI-UHFFFAOYSA-N
Formula
C42H30O12
Mass
726.69
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
Hexacarboxylic acids and derivatives Triphenylenes Chrysenes Anthracenes Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzo-e-pyrene - Benzo-a-pyrene - Hexacarboxylic acid or derivatives - Triphenylene - Chrysene - Phenanthrene - Anthracene - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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