Structure Information
Structure

Compound Identification

SMILES

CC1(CC(CC1\C=C/C1CC(CN2C(=O)C3=CC=CC=C3C2=O)C(C1)C=C)C=C)C(=O)OCC(O)CCl

InChIKey

InChIKey=PTIDXZKUWRKYGP-KHPPLWFESA-N

Formula

C30H36ClNO5

Mass

526.07

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 monoesters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalimide - 3-mcpd monoester - Isoindolone - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Isoindole or derivatives - Isoindole - Isoindoline - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Tertiary amine - Secondary alcohol - Halohydrin - Carboxylic acid ester - Amino acid or derivatives - Chlorohydrin - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic 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

Previous Back Next