Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(S)CCCCCC1=CC=C(Br)C=C1

InChIKey

InChIKey=SWLATIZAHZLHLD-UHFFFAOYSA-N

Formula

C13H17BrO2S

Mass

317.24

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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

Medium-chain fatty acid - Bromobenzene - Halobenzene - Halogenated fatty acid - Thia fatty acid - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - 2-mercaptocarboxylic acid - Alkylthiol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Organohalogen compound - Carbonyl group - Organobromide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - 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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