Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Hydrocarbons

Class

Unsaturated hydrocarbons

Subclass

Olefins

Intermediate Tree Nodes

Cyclic olefins

Direct Parent

Azulenes

Alternative Parents

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

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