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Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCC(O)CCl

InChIKey

InChIKey=GQUYTVRTHVOZHT-UHFFFAOYSA-N

Formula

C21H39ClO3

Mass

374.99

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty acid esters

Intermediate Tree Nodes

Chloropropanol esters

Direct Parent

3-MCPD monoesters

Alternative Parents

Molecular Framework

Aliphatic acyclic compounds

Substituents

3-mcpd monoester - Carboxylic acid ester - Chlorohydrin - Halohydrin - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Alkyl halide - Alkyl chloride - Organochloride - Organooxygen compound - Aliphatic acyclic compound

Description

This compound belongs to the class of organic compounds known as 3-mcpd monoesters. These are compounds containing a 3-monochloropropane-1,2-diol skeleton that is esterified either at the C1 or C3 terminal carbon atom only.

External Descriptors

Not available

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