Compound Identification
SMILES
[Cu].CCCCOP(=O)(CCCC)OCCCC.CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O
InChIKey
InChIKey=XFBFVCZFXWYEHL-UHFFFAOYSA-N
Formula
C26H40CuNO10PS
Mass
653.18
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
-
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
-
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 - Alkyl-phenylketones
Direct Parent
Benzoylcyclohexane-1,3-diones
Alternative Parents
Benzenesulfonyl compounds Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Beta-diketones Dialkyl alkylphosphonates Phosphonic acid esters Sulfones Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organic transition metal salts Organic oxoazanium compounds Organophosphorus compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organic cations
Molecular Framework
Not available
Substituents
Benzoylcyclohexane-1,3-dione - Nitrobenzene - Benzenesulfonyl group - Aryl alkyl ketone - Nitroaromatic compound - Benzoyl - Phosphonic acid diester - 1,3-diketone - Dialkyl alkylphosphonate - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Phosphonic acid ester - Benzenoid - Organophosphonic acid derivative - Sulfone - Sulfonyl - Cyclic ketone - Organic nitro compound - C-nitro compound - Organic transition metal salt - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organophosphorus compound - Organonitrogen compound - Organic salt - Organic nitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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