Structure Information
Structure

Compound Identification

SMILES

CC1(SCCC(CCCCC(O)=O)S1)C1=CC=C(Br)C=C1

InChIKey

InChIKey=BKXHEVFPVMHPBO-UHFFFAOYSA-N

Formula

C16H21BrO2S2

Mass

389.37

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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

Medium-chain fatty acid - Bromobenzene - Thia fatty acid - Dithioketal - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,3-dithiane - Benzenoid - Thioacetal - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - 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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