Compound Identification
SMILES
CN1N=CC=C1OCC1=C(C=CC(C(=O)C2C(=O)CC(C)(C)CC2=O)=C1Cl)S(C)(=O)=O
InChIKey
InChIKey=IWNXHDMBGMHFLS-UHFFFAOYSA-N
Formula
C21H23ClN2O6S
Mass
466.93
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
Benzenesulfonyl compounds Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Beta-diketones Aryl chlorides Vinylogous halides Sulfones Pyrazoles Heteroaromatic compounds Cyclic ketones Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoylcyclohexane-1,3-dione - Benzenesulfonyl group - Benzoyl - Aryl alkyl ketone - Alkyl aryl ether - 1,3-diketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Azole - Heteroaromatic compound - Vinylogous halide - Pyrazole - Sulfone - Sulfonyl - Cyclic ketone - Ether - Organoheterocyclic compound - Azacycle - Organochloride - Organohalogen compound - Organic oxide - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - 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