Compound Identification
SMILES
COC1=C(C=CC(C(=O)C2C(=O)C3CC3C(C)(Br)C2=O)=C1C)S(C)(=O)=O
InChIKey
InChIKey=JAQVRIHNJLQCAI-UHFFFAOYSA-N
Formula
C18H19BrO6S
Mass
443.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- 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
Direct Parent
Alkyl-phenylketones
Alternative Parents
Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Aryl alkyl ketones Benzoyl derivatives Toluenes Alkyl aryl ethers Beta-diketones Sulfones Alpha-haloketones Cyclic ketones Hydrocarbon derivatives Organic oxides Alkyl bromides Organobromides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Alkyl-phenylketone - Benzenesulfonyl group - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Aryl alkyl ketone - Alkyl aryl ether - Toluene - 1,3-diketone - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Sulfone - Alpha-haloketone - Cyclic ketone - Ether - Alkyl bromide - Hydrocarbon derivative - Organosulfur compound - Organobromide - Organohalogen compound - Organic oxide - Alkyl halide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available