Compound Identification
SMILES
OC(=O)C(=O)CC(=O)c1cccn1Sc1ccccc1
InChIKey
InChIKey=MHXVBVUVWMEIRC-UHFFFAOYSA-N
Formula
C14H11NO4S
Mass
289.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Keto acids and derivatives
- Subclass Gamma-keto acids and derivatives
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Class
Keto acids and derivatives
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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 Beta-diketones Substituted pyrroles Benzene and substituted derivatives Alpha-keto acids and derivatives Heteroaromatic compounds Alpha-hydroxy ketones Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - 1,3-diketone - Alpha-keto acid - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Substituted pyrrole - Heteroaromatic compound - Alpha-hydroxy ketone - Pyrrole - Ketone - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic oxide - 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