Compound Identification
SMILES
COC(=O)C1=C(COC(=O)CCC(=O)C2=CC=CC=C2)C(C(=O)OC)=C(N)S1
InChIKey
InChIKey=MFYOBJPRTGQMFB-UHFFFAOYSA-N
Formula
C19H19NO7S
Mass
405.42
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
Butyrophenones 3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Vinylogous amides Methyl esters Heteroaromatic compounds Amino acids and derivatives Monocarboxylic acids and derivatives Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - 3,4,5-trisubstituted-2-aminothiophene - Benzoyl - Gamma-keto acid - Thiophene carboxylic acid or derivatives - Aryl alkyl ketone - Fatty acid ester - Monocyclic benzene moiety - Keto acid - 2-aminothiophene - Benzenoid - Fatty acyl - Thiophene - Heteroaromatic compound - Methyl ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - 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