Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)CCC(=O)OCC1=COC(=N1)C1=CC=CS1
InChIKey
InChIKey=RAJOGEFHMDJWIP-UHFFFAOYSA-N
Formula
C18H14ClNO4S
Mass
375.82
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 Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Fatty acid esters Chlorobenzenes 2,4-disubstituted oxazoles Aryl chlorides Heteroaromatic compounds Thiophenes Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Gamma-keto acid - Benzoyl - Aryl alkyl ketone - 2,4-disubstituted 1,3-oxazole - Halobenzene - Fatty acid ester - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Keto acid - Heteroaromatic compound - Oxazole - Thiophene - Azole - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - 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