Compound Identification
SMILES
[Cl-].[Cl-].C[N+]1=CC=C(C=C1)C1=CC=[N+](C)C=C1.CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O
InChIKey
InChIKey=PZJHUCGLVCVVMC-UHFFFAOYSA-L
Formula
C26H27Cl2N3O7S
Mass
596.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
- 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
Bipyridines and oligopyridines Benzenesulfonyl compounds Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds N-methylpyridinium compounds Beta-diketones Pyridinium derivatives Sulfones Heteroaromatic compounds Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic chloride salts Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organic cations
Molecular Framework
Not available
Substituents
Benzoylcyclohexane-1,3-dione - 4,4p-bipyridinium - Bipyridine - Benzenesulfonyl group - Nitrobenzene - Aryl alkyl ketone - Nitroaromatic compound - Benzoyl - N-methylpyridinium - 1,3-diketone - 1,3-dicarbonyl compound - Benzenoid - Pyridinium - Monocyclic benzene moiety - Pyridine - Sulfonyl - Sulfone - Heteroaromatic compound - Cyclic ketone - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic chloride salt - Organic cation - Aromatic heteromonocyclic 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