Compound Identification
SMILES
COC1=CC(C(=O)COC(=O)[C@@H](C)SC2=CC=C(Cl)C=C2)=C(OC)C=C1
InChIKey
InChIKey=QBNIEUBHFKIYFT-GFCCVEGCSA-N
Formula
C19H19ClO5S
Mass
394.87
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
Dimethoxybenzenes Thiophenol ethers Anisoles Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Alpha-acyloxy ketones Chlorobenzenes Aryl chlorides Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Dimethoxybenzene - P-dimethoxybenzene - Anisole - Benzoyl - Phenol ether - Thiophenol ether - Aryl alkyl ketone - Phenoxy compound - Aryl thioether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Alpha-acyloxy ketone - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Carboxylic acid ester - Carboxylic acid derivative - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Ether - Organosulfur compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - 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