Structure Information
Structure

Compound Identification

SMILES

N#CC1=CC=C(C=C1)C12OCC(CO1)(CO2)C1CCCCC1

InChIKey

InChIKey=QZPUAORHIAULHL-UHFFFAOYSA-N

Formula

C18H21NO3

Mass

299.37

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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

Ortho esters Carboxylic acid orthoesters 1,3-dioxanes Oxacyclic compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzonitrile - Carboxylic acid orthoester - Ortho ester - Meta-dioxane - Orthocarboxylic acid derivative - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic 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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