Compound Identification
SMILES
CCOC(=O)[C@]1(CC(C)=C(C)CS1=O)C(C)=O
InChIKey
InChIKey=HQNQXYYNUBIVCP-WHUIICBVSA-N
Formula
C12H18O4S
Mass
258.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Beta-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
Beta-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Beta-keto acids and derivatives
Alternative Parents
Fatty acid esters Thiopyrans Sulfoxides Ketones Carboxylic acid esters Sulfinyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Beta-keto acid - Fatty acid ester - Fatty acyl - Thiopyran - Carboxylic acid ester - Ketone - Sulfoxide - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Sulfinyl compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
External Descriptors
Not available