Structure Information
Structure

Compound Identification

SMILES

CCCCC(CC(O)=O)SC1=CC=CC=C1

InChIKey

InChIKey=HNQDVNGANOYNDY-UHFFFAOYSA-N

Formula

C13H18O2S

Mass

238.35

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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 homomonocyclic compounds

Substituents

Aryl thioether - Thiophenol ether - Medium-chain fatty acid - Branched fatty acid - Thia fatty acid - Alkylarylthioether - Methyl-branched fatty acid - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Aromatic homomonocyclic 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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