Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@H]1CC(=O)C=C(SCC(=O)C2=CC=C(Cl)C=C2)S1
InChIKey
InChIKey=OHNKLIJBSKHCMS-IBGZPJMESA-N
Formula
C20H17ClO3S2
Mass
404.92
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
Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Thiopyrans Vinylogous thioesters Ketene acetals Cyclic ketones Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Thiopyran - Vinylogous thioester - Cyclic ketone - Ketene acetal or derivatives - Ether - Organoheterocyclic compound - Sulfenyl compound - Organochloride - Organosulfur compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - 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