Compound Identification
SMILES
COC(=O)C(CC(C)=O)SC1=CC=CC=C1
InChIKey
InChIKey=COCFFEIITJAFID-UHFFFAOYSA-N
Formula
C12H14O3S
Mass
238.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Gamma-keto acids and derivatives
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Class
Keto acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Gamma-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Gamma-keto acids and derivatives
Alternative Parents
Thiophenol ethers Fatty acid esters Alkylarylthioethers Benzene and substituted derivatives Methyl esters Ketones Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aryl thioether - Gamma-keto acid - Thiophenol ether - Fatty acid ester - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Methyl ester - Carboxylic acid ester - Ketone - Sulfenyl compound - Carboxylic acid derivative - Thioether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.
External Descriptors
Not available