Compound Identification
SMILES
[Na+].CC(C)C1=CC=C2C(CCC\C=N\NC(=O)NC3=CC=C(Cl)C=C3)=CC(C([O-])=O)=C2C=C1
InChIKey
InChIKey=KCUSJMHAPDMEOT-RRIBZKRYSA-M
Formula
C25H25ClN3NaO3
Mass
473.93
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
N-phenylureas Chlorobenzenes Semicarbazones Aryl chlorides Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organochlorides Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Azulene - N-phenylurea - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Semicarbazone - Semicarbazide - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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