Compound Identification
SMILES
CCCCCCCCC(=O)OC1=C2C3=C(OC(=O)CCCCCCCC)C=C4C5=CC=CC=C5C(=O)C5=C4C3=C(C=C5)C3=C2C2=C(C=C3)C(=O)C3=CC=CC=C3C2=C1
InChIKey
InChIKey=QAIYYTKXMCCFQB-UHFFFAOYSA-N
Formula
C52H48O6
Mass
768.95
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 Phenol esters Fatty acid esters Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzo-a-pyrene - Chrysene - Phenanthrol - Anthracene - Phenanthrene - Phenol ester - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Carboxylic acid ester - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - 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