Compound Identification
SMILES
OC(=O)COC1=CC=C(C(=O)C2CC=CS2)C(Cl)=C1Cl
InChIKey
InChIKey=BKLFZBZSRZNDRR-UHFFFAOYSA-N
Formula
C13H10Cl2O4S
Mass
333.18
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
Chlorophenoxyacetates Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Dichlorobenzenes Alkyl aryl ethers Aryl chlorides Vinylogous halides Dihydrothiophenes Thioenol ethers Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Chlorophenoxyacetate - Phenoxyacetate - Phenoxy compound - 1,2-dichlorobenzene - Aryl alkyl ketone - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - 2,3-dihydrothiophene - Vinylogous halide - Thioenolether - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - 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