Compound Identification
SMILES
Cl.CCCCOC(=O)COC1=C(OCC(=O)OCCCC)C=C(C=C1)C(=O)CNC(=O)C1=CC2=C(CCNC2)S1
InChIKey
InChIKey=BMMXANBYEMIMIM-UHFFFAOYSA-N
Formula
C28H37ClN2O8S
Mass
597.12
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
Phenoxyacetic acid derivatives Thienopyridines 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Aryl alkyl ketones Benzoyl derivatives Phenol ethers Phenoxy compounds Thiophene carboxamides Aralkylamines Alkyl aryl ethers Dicarboxylic acids and derivatives Pyridines and derivatives Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Phenoxyacetate - Thienopyridine - Phenol ether - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Aryl alkyl ketone - Benzoyl - Phenoxy compound - Alkyl aryl ether - Aralkylamine - Benzenoid - Pyridine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Ether - Hydrochloride - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen 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