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(C)C=C1)C1=CC=C(C)C=C1
InChIKey
InChIKey=BBMMCXPSHBFIPA-UHFFFAOYSA-N
Formula
C35H34ClNO5S
Mass
616.17
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
Phenylthiomorpholines Thiomorpholine carboxylic acids and derivatives Aryl alkyl ketones Benzoyl derivatives Benzylamines Phenylmethylamines Chlorobenzenes Aralkylamines Toluenes Beta-amino ketones Aryl chlorides Sulfones Carboxylic acid esters Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 3-phenylthiomorpholine - Thiomorpholine-2-carboxylic acid - Benzoyl - Benzylamine - Phenylmethylamine - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aralkylamine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - Benzenoid - 1,4-thiazinane - Sulfone - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Amine - 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