Compound Identification
SMILES
CCOC(=O)C1C(N(CC2=CC=CC=C2)C(C(C(=O)C2=CC=C(Cl)C=C2)S1(=O)=O)C1=CC=C(F)C=C1)C1=CC=C(F)C=C1
InChIKey
InChIKey=WQXXVIJJYUAUOX-UHFFFAOYSA-N
Formula
C33H28ClF2NO5S
Mass
624.1
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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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
Phenylthiomorpholines Thiomorpholine carboxylic acids and derivatives Phenylmethylamines Aryl alkyl ketones Benzylamines Benzoyl derivatives Aralkylamines Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Beta-amino ketones Sulfones Trialkylamines Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 3-phenylthiomorpholine - Thiomorpholine-2-carboxylic acid - Benzoyl - Benzylamine - Aryl alkyl ketone - Phenylmethylamine - Chlorobenzene - Fluorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - Benzenoid - 1,4-thiazinane - Sulfone - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxide - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - 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