Compound Identification
SMILES
CCC(=O)NC(CCCCCCCCCC(Cl)(Cl)C(O)=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=SQPCSOWPTIRYFX-UHFFFAOYSA-N
Formula
C21H30Cl3NO3
Mass
450.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Long-chain fatty acids
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Subclass
Fatty acids and conjugates
-
Class
Fatty Acyls
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Long-chain fatty acids
Alternative Parents
Halogenated fatty acids Chlorobenzenes Aryl chlorides Alpha-halocarboxylic acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Long-chain fatty acid - Chlorobenzene - Halobenzene - Halogenated fatty acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organochloride - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Alkyl halide - Alkyl chloride - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
External Descriptors
Not available