Compound Identification
SMILES
CCOC(=O)C(=O)CC(=O)C1=CC=C(S1)C#CC1=CC=CC=C1
InChIKey
InChIKey=PGGDIKVBBKPCJV-UHFFFAOYSA-N
Formula
C18H14O4S
Mass
326.37
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
Aryl alkyl ketones Fatty acid esters Beta-diketones 2,5-disubstituted thiophenes Benzene and substituted derivatives Alpha-keto acids and derivatives Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - 2,5-disubstituted thiophene - 1,3-diketone - Alpha-keto acid - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Thiophene - Heteroaromatic compound - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic 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