Compound Identification
SMILES
CCOC(=O)C1=C(C)C2=C(S1)N=CN(CC(=O)C1=C(OC)C=CC(OC)=C1)C2=O
InChIKey
InChIKey=VFFOWAGJHONJKK-UHFFFAOYSA-N
Formula
C20H20N2O6S
Mass
416.45
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
Dimethoxybenzenes Thienopyrimidines Anisoles Aryl alkyl ketones Benzoyl derivatives Thiophene carboxylic acids and derivatives Phenoxy compounds Alkyl aryl ethers Pyrimidones Heteroaromatic compounds Carboxylic acid esters Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Dimethoxybenzene - P-dimethoxybenzene - Thienopyrimidine - Anisole - Benzoyl - Phenol ether - Thiophene carboxylic acid or derivatives - Aryl alkyl ketone - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Lactam - Azacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organonitrogen 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