Compound Identification
SMILES
COC(=O)C1=CC2=C(C=C1)C(=O)N(CC1=CC3=C(OCO3)C=C1)C(SCC(=O)C1=CC=CC=C1)=N2
InChIKey
InChIKey=XAQWVWJBUKIZQV-UHFFFAOYSA-N
Formula
C26H20N2O6S
Mass
488.51
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
Quinazolines Benzodioxoles Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Pyrimidones Heteroaromatic compounds Methyl esters Lactams Acetals Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Diazanaphthalene - Quinazoline - Benzodioxole - Aryl thioether - Benzoyl - Aryl alkyl ketone - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Lactam - Thioether - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Sulfenyl compound - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aldehyde - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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