Compound Identification
SMILES
CCOCC1=C(C=CC(C(=O)C2C(=O)CCCC2=O)=C1Cl)S(C)(=O)=O
InChIKey
InChIKey=NJVOFUFNFBOHJW-UHFFFAOYSA-N
Formula
C17H19ClO6S
Mass
386.84
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
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
Benzylethers Benzenesulfonyl compounds Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Beta-diketones Aryl chlorides Vinylogous halides Sulfones Cyclic ketones Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoylcyclohexane-1,3-dione - Benzenesulfonyl group - Benzylether - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - 1,3-diketone - 1,3-dicarbonyl compound - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Sulfonyl - Sulfone - Vinylogous halide - Cyclic ketone - Ether - Dialkyl ether - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Aromatic homomonocyclic 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