Structure Information
Structure

Compound Identification

SMILES

CCCC[N+]1(CCCC(=O)CCCCC(=O)OCC(O)CCl)CC(O)C1

InChIKey

InChIKey=HSWYDNUTGNCRGV-UHFFFAOYSA-N

Formula

C19H35ClNO5

Mass

392.94

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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 heteromonocyclic compounds

Substituents

3-mcpd monoester - Gamma-aminoketone - Tetraalkylammonium salt - Quaternary ammonium salt - 1,2-aminoalcohol - Azetidine - Carboxylic acid ester - Chlorohydrin - Secondary alcohol - Halohydrin - Ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Alkyl halide - Alkyl chloride - Organic cation - Aliphatic heteromonocyclic 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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