Structure Information
Structure

Compound Identification

SMILES

OC(=O)CCCCCNCN1N=C(OC1=S)C1=CC=C(Br)C=C1

InChIKey

InChIKey=CXGXXDUOFXTSFL-UHFFFAOYSA-N

Formula

C15H18BrN3O3S

Mass

400.29

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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 - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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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