Compound Identification
SMILES
CC1=NN(CC2=C(C=CC(C(=O)C3C(=O)CCCC3=O)=C2Cl)S(C)(=O)=O)N=N1
InChIKey
InChIKey=WJZLDAVANCZRKM-UHFFFAOYSA-N
Formula
C17H17ClN4O5S
Mass
424.86
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
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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
-
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 Beta-diketones Chlorobenzenes Aryl chlorides Vinylogous halides Tetrazoles Sulfones Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organochlorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoylcyclohexane-1,3-dione - Benzenesulfonyl group - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - 1,3-diketone - Aryl halide - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Aryl chloride - Vinylogous halide - Heteroaromatic compound - Tetrazole - Sulfonyl - Sulfone - Azole - Cyclic ketone - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic oxide - 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