Structure Information
Structure

Compound Identification

SMILES

CCCCCCC12CCC(CC1)(CC2)C1=CC(Cl)=C(C=C1)C#N

InChIKey

InChIKey=WOOHVMWBCOONCA-UHFFFAOYSA-N

Formula

C21H28ClN

Mass

329.91

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

Chlorobenzenes Aryl chlorides Nitriles Organochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Benzonitrile - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

External Descriptors

Not available

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