Structure Information
Structure

Compound Identification

SMILES

OC(=O)CCC(=O)OC[C@@H](OC(=O)CCC(O)=O)C(Cl)Cl

InChIKey

InChIKey=KYDLUQJNJYHHKH-ZCFIWIBFSA-N

Formula

C11H14Cl2O8

Mass

345.13

Export to:

JSON SDF CSV

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 - Tetracarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - 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

Previous Back Next