Compound Identification
SMILES
O[C@H]1[C@@H]2O[C@@H]2C2=C([C@@H]1O)C1=C3C(C=CC4=C3C(C=C1)=CC=C4)=C2
InChIKey
InChIKey=VAHKPYXMVVSHGS-NMLBUPMWSA-N
Formula
C20H14O3
Mass
302.329
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Pyrenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Pyrenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrenes
Alternative Parents
Phenanthrols Tetralins Naphthalenes Secondary alcohols 1,2-diols Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrene - Phenanthrol - Phenanthrene - Tetralin - Naphthalene - Secondary alcohol - 1,2-diol - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
External Descriptors
Not available