Compound Identification
SMILES
COC(=O)C(CC(=O)C1=CC=C(C=C1)S(C)(=O)=O)C(=O)OC
InChIKey
InChIKey=IPQROFYLPCTTFL-UHFFFAOYSA-N
Formula
C14H16O7S
Mass
328.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Butyrophenones Benzenesulfonyl compounds Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Sulfones Methyl esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzenesulfonyl group - Benzoyl - Aryl alkyl ketone - Gamma-keto acid - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Keto acid - Methyl ester - Sulfonyl - Sulfone - Carboxylic acid ester - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available