Compound Identification
SMILES
CC(=O)C1=C(C)C=C(OCC2CN(CCO2)C(=O)C2=C(Cl)C(=CS2)S(C)(=O)=O)C=C1
InChIKey
InChIKey=YGMLVAZYRVAVBS-UHFFFAOYSA-N
Formula
C20H22ClNO6S2
Mass
471.97
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
Acetophenones Morpholine carboxylic acids and derivatives Thiophene carboxamides Phenoxy compounds Phenol ethers 2-heteroaryl carboxamides Aryl alkyl ketones Benzoyl derivatives Toluenes Alkyl aryl ethers Aryl chlorides Vinylogous halides Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Morpholine-4-carboxylic acid or derivatives - Acetophenone - Phenol ether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Aryl alkyl ketone - 2-heteroaryl carboxamide - Benzoyl - Phenoxy compound - Toluene - Alkyl aryl ether - Morpholine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Oxazinane - Heteroaromatic compound - Vinylogous halide - Thiophene - Tertiary carboxylic acid amide - Sulfone - Sulfonyl - Carboxamide group - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Oxacycle - Organochloride - Organohalogen compound - Organic oxide - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen 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