Compound Identification
SMILES
COC1=C(Cl)C=C(C=C1)C(=O)COC(=O)C1=CC=CC=C1SCC(C)=O
InChIKey
InChIKey=DZGRIRYLCMXFKC-UHFFFAOYSA-N
Formula
C19H17ClO5S
Mass
392.85
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
O-sulfanylbenzoic acids and derivatives Benzoic acid esters Thiophenol ethers Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Vinylogous thioesters Aryl chlorides Carboxylic acid esters Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoate ester - O-sulfanylbenzoic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Phenol ether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Vinylogous thioester - Monocyclic benzene moiety - Aryl halide - Carboxylic acid ester - Ether - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organosulfur compound - Aromatic homomonocyclic 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