Compound Identification
SMILES
CCN1N=NN=C1SCC1=C(C=CC(C(=O)C2C(=O)CCCC2=O)=C1Cl)S(C)(=O)=O
InChIKey
InChIKey=OCNJTWXUZCDDHW-UHFFFAOYSA-N
Formula
C18H19ClN4O5S2
Mass
470.94
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
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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
-
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 Beta-diketones Chlorobenzenes Aryl chlorides Vinylogous halides Tetrazoles Sulfones Heteroaromatic compounds Cyclic ketones Sulfenyl compounds Azacyclic compounds Organochlorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoylcyclohexane-1,3-dione - Benzenesulfonyl group - Aryl thioether - Benzoyl - Aryl alkyl ketone - Halobenzene - Chlorobenzene - 1,3-diketone - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Sulfone - Vinylogous halide - Heteroaromatic compound - Azole - Tetrazole - Sulfonyl - Cyclic ketone - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur 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