Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)COC(=O)\C=C\C1=NC2=CC=CC=C2S1
InChIKey
InChIKey=UXQCTOBJIGBVIU-MDZDMXLPSA-N
Formula
C18H12ClNO3S
Mass
357.81
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
Benzothiazoles Aryl alkyl ketones Benzoyl derivatives Alpha-acyloxy ketones Chlorobenzenes Fatty acid esters Aryl chlorides Heteroaromatic compounds Enoate esters Thiazoles Azacyclic compounds Monocarboxylic acids and derivatives Organochlorides Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 1,3-benzothiazole - Benzoyl - Aryl alkyl ketone - Alpha-acyloxy ketone - Fatty acid ester - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Fatty acyl - Aryl chloride - Benzenoid - Aryl halide - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Azole - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organochloride - Organohalogen compound - Hydrocarbon derivative - 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