Structure Information
Structure

Compound Identification

SMILES

CC(C)(CCCCOC1=C(F)C(O)=C(C(O)=O)C(F)=C1F)C#N

InChIKey

InChIKey=IXERRLGRQBXEKG-UHFFFAOYSA-N

Formula

C15H16F3NO4

Mass

331.291

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Hydroxybenzoic acid derivatives - Salicylic acid and derivatives

Direct Parent

Salicylic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Salicylic acid - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - 2-fluorophenol - 1-carboxy-2-haloaromatic compound - Phenol ether - 4-fluorophenol - 3-fluorophenol - 2-halophenol - 3-halophenol - 4-halophenol - Benzoyl - Phenoxy compound - Alkyl aryl ether - Fluorobenzene - Halobenzene - Phenol - Aryl halide - Aryl fluoride - Vinylogous halide - Vinylogous acid - Nitrile - Carbonitrile - Carboxylic acid derivative - Carboxylic acid - Ether - Organohalogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.

External Descriptors

Not available

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