Compound Identification
SMILES
OC1=CC(O)=C2C(O)=C3C(=O)CC4OCC5=CC(O)=C6C(=O)C7=C(O)C=C(O)C8=C7C7=C(C3=C4C5=C67)C2=C18
InChIKey
InChIKey=HWXUSKFPJWBUEV-UHFFFAOYSA-N
Formula
C29H14O9
Mass
506.422
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 Triphenylenes Phenanthrols Naphthopyrans Anthracenes Phenalanes Naphthols and derivatives 2-benzopyrans Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Pyrans Vinylogous acids Polyols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-a-pyrene - Benzo-e-pyrene - Chrysene - Triphenylene - Phenanthrol - Anthracene - Naphthopyran - Phenanthrene - Phenalane - 2-naphthol - 1-naphthol - Benzopyran - 2-benzopyran - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyran - Vinylogous acid - Ketone - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Polyol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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