Compound Identification
SMILES
OC(=O)C(CC#CC1=CC=C(Cl)C=C1)SC1=CC=CC=C1
InChIKey
InChIKey=GRSSDAYNEBLNCH-UHFFFAOYSA-N
Formula
C17H13ClO2S
Mass
316.8
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
-
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
Thiophenol ethers Thia fatty acids Halogenated fatty acids Chlorobenzenes Alkylarylthioethers Unsaturated fatty acids Aryl chlorides Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aryl thioether - Medium-chain fatty acid - Thiophenol ether - Alkylarylthioether - Chlorobenzene - Halobenzene - Thia fatty acid - Halogenated fatty acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Unsaturated fatty acid - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organohalogen compound - Organochloride - Organooxygen 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