Structure Information
Structure

Compound Identification

SMILES

CCCCOC(=O)C(CC)CC(C)(CC(C)(C)C(=O)OCC(O)CCl)C(=O)OCCN

InChIKey

InChIKey=KIZANFNZOAZQQN-UHFFFAOYSA-N

Formula

C22H40ClNO7

Mass

466.01

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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 - Tricarboxylic acid or derivatives - Amino acid or derivatives - Carboxylic acid ester - Chlorohydrin - Secondary alcohol - Halohydrin - Carboxylic acid derivative - Alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkyl halide - Alkyl chloride - 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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