Compound Identification
SMILES
COC1=C(C=C(Cl)C=C1)S(=O)(=O)NC1=CC=CC(=C1)C(=O)CC(=O)C(O)=O
InChIKey
InChIKey=PXXIYNGHWUPGSM-UHFFFAOYSA-N
Formula
C17H14ClNO7S
Mass
411.81
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
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Level 6
Aryl ketones
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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 Sulfanilides Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Benzoyl derivatives Gamma-keto acids and derivatives Aryl alkyl ketones Methoxybenzenes Anisoles Chlorobenzenes Beta-diketones Alkyl aryl ethers Organosulfonamides Aryl chlorides Alpha-keto acids and derivatives Aminosulfonyl compounds Alpha-hydroxy ketones Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Organochlorides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aryl alkyl ketone - Gamma-keto acid - Phenol ether - Alkyl aryl ether - 1,3-diketone - Chlorobenzene - Halobenzene - Alpha-keto acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Keto acid - Organosulfonic acid amide - Alpha-hydroxy ketone - Sulfonyl - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organopnictogen 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