Compound Identification
SMILES
CCOC(=O)C1C(N(C)C(C(C(=O)C2=CC=C(Cl)C=C2)S1(=O)=O)C1=CC=CO1)C1=CC=CO1
InChIKey
InChIKey=GHLVIULQQMFPFK-UHFFFAOYSA-N
Formula
C23H22ClNO7S
Mass
491.94
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
Thiomorpholine carboxylic acids and derivatives Aryl alkyl ketones Benzoyl derivatives Aralkylamines Chlorobenzenes Aryl chlorides Beta-amino ketones Sulfones Heteroaromatic compounds Furans Trialkylamines Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Thiomorpholine-2-carboxylic acid - Benzoyl - Aryl alkyl ketone - Halobenzene - Chlorobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - Benzenoid - 1,4-thiazinane - Furan - Heteroaromatic compound - Sulfone - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - 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