Compound Identification
SMILES
OC(=O)COC1=C(Cl)C=C(Cl)C=C1.CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O
InChIKey
InChIKey=CIQCENCYUWOSNA-UHFFFAOYSA-N
Formula
C22H19Cl2NO10S
Mass
560.35
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
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Subclass
Carbonyl compounds
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Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
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Level 8
Alkyl-phenylketones
- Level 9 Benzoylcyclohexane-1,3-diones
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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
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones - Alkyl-phenylketones
Direct Parent
Benzoylcyclohexane-1,3-diones
Alternative Parents
Phenoxyacetic acid derivatives Benzenesulfonyl compounds Nitrobenzenes Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Dichlorobenzenes Alkyl aryl ethers Beta-diketones Aryl chlorides Sulfones Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organochlorides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Benzoylcyclohexane-1,3-dione - Phenoxyacetate - Nitrobenzene - Benzenesulfonyl group - Benzoyl - 1,3-dichlorobenzene - Phenol ether - Phenoxy compound - Aryl alkyl ketone - Nitroaromatic compound - Alkyl aryl ether - 1,3-diketone - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl chloride - Aryl halide - 1,3-dicarbonyl compound - Benzenoid - Sulfone - Sulfonyl - Cyclic ketone - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxide - Organosulfur compound - Organic salt - Organonitrogen compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoylcyclohexane-1,3-diones. These are alkyl-phenylketones where the alkyl group is a cyclohexane 1,3-dione.
External Descriptors
Not available