Compound Identification
SMILES
CC1=CC(C(C2=CC3=C(S2)C=C(S3)C=O)C2=C3C=CC=CC=C3C(C)=C2)=C2C=CC=CC=C12
InChIKey
InChIKey=NNIBPSGOPZDZJL-UHFFFAOYSA-N
Formula
C30H22OS2
Mass
462.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Hydrocarbons
-
Class
Unsaturated hydrocarbons
-
Subclass
Olefins
-
Level 5
Cyclic olefins
- Level 6 Azulenes
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Level 5
Cyclic olefins
-
Subclass
Olefins
-
Class
Unsaturated hydrocarbons
-
Superclass
Hydrocarbons
Kingdom
Organic compounds
Superclass
Hydrocarbons
Class
Unsaturated hydrocarbons
Subclass
Olefins
Intermediate Tree Nodes
Cyclic olefins
Direct Parent
Azulenes
Alternative Parents
Thienothiophenes 2,3,5-trisubstituted thiophenes Aryl-aldehydes Heteroaromatic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Azulene - Thienothiophene - 2,3,5-trisubstituted thiophene - Aryl-aldehyde - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azulenes. These are polycyclic aromatic compounds containing the azulene skeleton, which consists of the cyclopentadiene ring fused to a cycloheptadiene ring.
External Descriptors
Not available