Compound Identification
SMILES
OC(=O)C(S)CCCCCC1=CC=C(Cl)C=C1
InChIKey
InChIKey=DRNUKILXCYIPOK-UHFFFAOYSA-N
Formula
C13H17ClO2S
Mass
272.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Fatty Acyls
-
Subclass
Fatty acids and conjugates
- Level 5 Medium-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
Medium-chain fatty acids
Alternative Parents
Thia fatty acids Halogenated fatty acids Chlorobenzenes Aryl chlorides alpha-Mercaptocarboxylic acids Monocarboxylic acids and derivatives Alkylthiols Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Medium-chain fatty acid - Thia fatty acid - Chlorobenzene - Halobenzene - Halogenated fatty acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 2-mercaptocarboxylic acid - Alkylthiol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organosulfur compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
External Descriptors
Not available