Structure Information
Structure

Compound Identification

SMILES

[Na+].CC(C)C1=CC=C2C(CCC\C=N\NC(=S)NC3=CC=CC=C3)=CC(C([O-])=O)=C2C=C1

InChIKey

InChIKey=CSRJGNIDCWBRIV-UUXIZDQESA-M

Formula

C25H26N3NaO2S

Mass

455.55

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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 - Monocyclic benzene moiety - Thiosemicarbazone - Benzenoid - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organic zwitterion - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic salt - 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

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