Compound Identification
SMILES
COC(=O)C(CC(=O)C1=CC=C(C=C1)S(C)(=O)=O)(CC(=O)C1=CC(Br)=C(OC)C=C1)C(=O)OC
InChIKey
InChIKey=CGDMWLKJUPDHNF-UHFFFAOYSA-N
Formula
C23H23BrO9S
Mass
555.39
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
Butyrophenones Benzenesulfonyl compounds Anisoles Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Gamma-keto acids and derivatives Alkyl aryl ethers Bromobenzenes Fatty acid esters Aryl bromides Dicarboxylic acids and derivatives Sulfones Methyl esters Organic oxides Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Gamma-keto acid - Phenol ether - Alkyl aryl ether - Bromobenzene - Fatty acid ester - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Keto acid - Methyl ester - Sulfonyl - Sulfone - Carboxylic acid ester - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Organohalogen compound - Organobromide - Aromatic homomonocyclic 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