Compound Identification
SMILES
O[C@@H]1C2SC2C2=C(C=C3C=CC4=C5C(C=CC2=C35)=CC=C4)[C@H]1O
InChIKey
InChIKey=JSUBCSZHRNLWTD-ZMTPEHOPSA-N
Formula
C20H14O2S
Mass
318.39
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 Benzothiepins Tetralins Naphthalenes Secondary alcohols 1,2-diols Thiiranes Dialkylthioethers Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrene - Phenanthrol - Phenanthrene - Benzothiepin - Naphthalene - Tetralin - Secondary alcohol - 1,2-diol - Dialkylthioether - Organoheterocyclic compound - Thiirane - Thioether - Alcohol - Hydrocarbon derivative - 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