Compound Identification
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCC1=CC=C(C=C1)C#CC1=C2C=CC3=C4C(C=CC(C=C1)=C24)=C(C=C3)C#CC1=CC=CS1
InChIKey
InChIKey=BLFQSVTYMBCNRF-UHFFFAOYSA-N
Formula
C48H52O9S
Mass
805.0
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
Phenanthrenes and derivatives Naphthalenes Benzylethers Thiophenes Heteroaromatic compounds Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrene - Phenanthrene - Naphthalene - Benzylether - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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