Structure Information
Structure

Compound Identification

SMILES

OC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1C1=CC=CC=C1O)C1=CC=C(C=C1)C#N

InChIKey

InChIKey=XDLZFBKHPVNBAA-IXBIJAQISA-N

Formula

C23H23NO5

Mass

393.439

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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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzonitrile - Medium-chain fatty acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Amino fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Phenol - Meta-dioxane - Unsaturated fatty acid - Fatty acyl - Fatty acid - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Oxacycle - Organoheterocyclic compound - Organic oxide - Cyanide - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic 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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