Compound Identification
SMILES
CSC1=NN=C(C(=O)N1N)C(C)(C)C.CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)C1C(=O)CCCC1=O
InChIKey
InChIKey=LFQMBXOXXIYXQZ-UHFFFAOYSA-N
Formula
C22H27ClN4O6S2
Mass
543.05
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
-
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
Benzenesulfonyl compounds Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Chlorobenzenes Beta-diketones 1,2,4-triazines Aryl chlorides Vinylogous halides Sulfones Heteroaromatic compounds Lactams Cyclic ketones Sulfenyl compounds Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Benzoylcyclohexane-1,3-dione - Benzenesulfonyl group - Benzoyl - Aryl thioether - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Alkylarylthioether - 1,3-diketone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Triazine - 1,3-dicarbonyl compound - Benzenoid - 1,2,4-triazine - Vinylogous halide - Heteroaromatic compound - Sulfone - Sulfonyl - Lactam - Cyclic ketone - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic nitrogen compound - 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