Compound Identification
SMILES
[Na+].CC(C)C1=CC=C2C(CCC\C=N\NC(=S)NC3=CC=C(Cl)C=C3)=CC(C([O-])=O)=C2C=C1
InChIKey
InChIKey=MOJRTENLOXXBIS-RRIBZKRYSA-M
Formula
C25H25ClN3NaO2S
Mass
489.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Hydrocarbons
-
Class
Unsaturated hydrocarbons
-
Subclass
Olefins
-
Level 5
Cyclic olefins
- Level 6 Azulenes
-
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
Chlorobenzenes Thiosemicarbazones Aryl chlorides Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Azulene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thiosemicarbazone - Benzenoid - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic sodium salt - Organic zwitterion - Organic salt - Aromatic homopolycyclic 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