Compound Identification
SMILES
COC1=C(OC)C(OCC2CN(CCO2)C(=O)C2=CC=C(Br)S2)=C(C=C1)C(C)=O
InChIKey
InChIKey=LGNFNQHSUHMBLJ-UHFFFAOYSA-N
Formula
C20H22BrNO6S
Mass
484.36
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
Dimethoxybenzenes Acetophenones Morpholine carboxylic acids and derivatives 2-heteroaryl carboxamides Thiophene carboxamides Anisoles Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds 2,5-disubstituted thiophenes Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Tertiary carboxylic acid amides Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Dimethoxybenzene - O-dimethoxybenzene - Morpholine-4-carboxylic acid or derivatives - Acetophenone - Phenoxy compound - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Aryl alkyl ketone - Benzoyl - 2-heteroaryl carboxamide - Phenol ether - Methoxybenzene - Anisole - 2,5-disubstituted thiophene - Alkyl aryl ether - Morpholine - Oxazinane - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic 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