Compound Identification
SMILES
[Na+].CC(C)C1=CC=C2C(CCC\C=N/NC(=O)NC3=CC=CC=C3)=CC(C([O-])=O)=C2C=C1
InChIKey
InChIKey=JHLRITCPWGUIOT-JCYJKQRTSA-M
Formula
C25H26N3NaO3
Mass
439.491
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
N-phenylureas Semicarbazones Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Azulene - N-phenylurea - Monocyclic benzene moiety - Semicarbazone - Benzenoid - Semicarbazide - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic salt - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic sodium 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