Compound Identification
SMILES
CC1CC(=O)C(C(=O)C2=C(COC(=O)C3=CC=C(Br)C=C3)C=CC=C2OCC(C)=C)C(=O)C1(CC=C(C)C)CC=C(C)C
InChIKey
InChIKey=CLGKATSIBMPQIN-UHFFFAOYSA-N
Formula
C36H41BrO6
Mass
649.622
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
4-halobenzoic acids and derivatives Aromatic monoterpenoids Monocyclic monoterpenoids Benzoic acid esters Benzyloxycarbonyls Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Beta-diketones Aryl bromides Cyclic ketones Carboxylic acid esters Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoylcyclohexane-1,3-dione - Aromatic monoterpenoid - Benzoate ester - Benzyloxycarbonyl - Monocyclic monoterpenoid - Monoterpenoid - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Aryl alkyl ketone - Benzoyl - 1,3-diketone - Alkyl aryl ether - Bromobenzene - Halobenzene - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl bromide - Cyclic ketone - Carboxylic acid ester - Carboxylic acid derivative - Ether - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - 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