Compound Identification
SMILES
COC(=O)C1=CC2=C(SC(S2)=CC2=C3C=CC4=CC=CC5=C4C3=C(C=C2)C=C5)C=C1
InChIKey
InChIKey=BDMFFLAWPMOTCS-UHFFFAOYSA-N
Formula
C26H16O2S2
Mass
424.53
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 Aryl thioethers Methyl esters 1,3-dithioles Ketene acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrene - Phenanthrene - Naphthalene - Aryl thioether - Methyl ester - 1,3-dithiole - Dithiole - Ketene acetal or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen 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