Compound Identification
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O.CCCC1=NN2C(C=C1)=NC(Cl)=C2S(=O)(=O)NC(=O)NC1=NC(OC)=CC(OC)=N1
InChIKey
InChIKey=RZDXBQLFSXOVFJ-UHFFFAOYSA-N
Formula
C30H31ClN8O12S2
Mass
795.19
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
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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
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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
Pyrimidinyl-2-sulfonylureas Benzenesulfonyl compounds Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Beta-diketones Alkyl aryl ethers Pyridazines and derivatives Aryl chlorides N-substituted imidazoles Pyrimidines and pyrimidine derivatives Organosulfonic acids and derivatives Sulfones Aminosulfonyl compounds Heteroaromatic compounds Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organochlorides Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Benzoylcyclohexane-1,3-dione - Pyrimidinyl-2-sulfonylurea - Nitrobenzene - Benzenesulfonyl group - Benzoyl - Nitroaromatic compound - Aryl alkyl ketone - Alkyl aryl ether - Sulfonylurea - 1,3-diketone - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyridazine - Pyrimidine - 1,3-dicarbonyl compound - Benzenoid - Aryl chloride - Aminosulfonyl compound - Imidazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Azole - Heteroaromatic compound - C-nitro compound - Cyclic ketone - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Ether - Organic zwitterion - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic salt - Aromatic heteropolycyclic 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