Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(CCCCCC1=CC=C(Cl)C=C1)SC1=CC=CC=N1

InChIKey

InChIKey=KGBOAFHONTVIQK-UHFFFAOYSA-N

Formula

C18H20ClNO2S

Mass

349.87

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty acids and conjugates

Intermediate Tree Nodes

Not available

Direct Parent

Medium-chain fatty acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aryl thioether - Medium-chain fatty acid - Chlorobenzene - Halobenzene - Halogenated fatty acid - Alkylarylthioether - Heterocyclic fatty acid - Thia fatty acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

External Descriptors

Not available

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