Compound Identification
SMILES
CSC1(C)CC(C)(C)C(=O)C(C(=O)C2=C(C=C(Cl)C=C2)[N+]([O-])=O)C1=O
InChIKey
InChIKey=HXTWISNKYAPSKN-UHFFFAOYSA-N
Formula
C17H18ClNO5S
Mass
383.84
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
-
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
Aromatic monoterpenoids Monocyclic monoterpenoids Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Beta-diketones Chlorobenzenes Aryl chlorides Cyclic ketones Organic oxoazanium compounds Dialkylthioethers Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic salts Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoylcyclohexane-1,3-dione - Aromatic monoterpenoid - Monoterpenoid - Monocyclic monoterpenoid - Nitrobenzene - Nitroaromatic compound - Aryl alkyl ketone - Benzoyl - Chlorobenzene - Halobenzene - 1,3-diketone - 1,3-dicarbonyl compound - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - C-nitro compound - Cyclic ketone - Organic nitro compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic salt - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic cation - 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