Structure Information
Structure

Compound Identification

SMILES

[2H]C([2H])(Cl)C([2H])(OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)C([2H])([2H])OC(=O)CCCCCCC\C=C/C\C=C/CCCCC

InChIKey

InChIKey=RNQDQJFAEAQNIS-OETXGKJHSA-N

Formula

C39H65ClO4

Mass

638.43

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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 diesters

Alternative Parents

Molecular Framework

Aliphatic acyclic compounds

Substituents

3-mcpd-diester - Octadecanoid - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - Aliphatic acyclic compound

Description

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

External Descriptors

Not available

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