Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)C(=O)COC(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=MLGMKJYNGABLFK-UHFFFAOYSA-N
Formula
C22H17ClO6S
Mass
444.88
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
p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds 4-halobenzoic acids and derivatives Benzoic acid esters Arylsulfonic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Chlorobenzenes Aryl chlorides Organosulfonic acid esters Sulfonyls Carboxylic acid esters Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - P-methylbenzenesulfonate - Benzenesulfonate ester - Benzoate ester - Benzenesulfonate - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Tosyl compound - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Aryl alkyl ketone - Toluene - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Organosulfonic acid ester - Benzenoid - Aryl halide - Aryl chloride - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organochloride - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organohalogen 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