Compound Identification
SMILES
OC(=O)C(=O)CC(=O)C1=CC=C(OCC2=CC(F)=CC=C2)S1
InChIKey
InChIKey=GQPQPEMERXUCSZ-UHFFFAOYSA-N
Formula
C15H11FO5S
Mass
322.31
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
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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 Fluorobenzenes Beta-diketones Alkyl aryl ethers 2,5-disubstituted thiophenes Aryl fluorides Alpha-keto acids and derivatives Heteroaromatic compounds Alpha-hydroxy ketones Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Gamma-keto acid - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Halobenzene - Fluorobenzene - 1,3-diketone - 2,5-disubstituted thiophene - Alpha-keto acid - Monocyclic benzene moiety - Aryl halide - 1,3-dicarbonyl compound - Benzenoid - Aryl fluoride - Thiophene - Heteroaromatic compound - Alpha-hydroxy ketone - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organofluoride - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - 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