Compound Identification
SMILES
ClC1=CC=C(S1)C(=O)COC(=O)C=CC1=CC=CO1
InChIKey
InChIKey=VCPRFZOIWUAPSK-UHFFFAOYSA-N
Formula
C13H9ClO4S
Mass
296.72
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 Aryl alkyl ketones
-
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
Direct Parent
Aryl alkyl ketones
Alternative Parents
Fatty acid esters Alpha-acyloxy ketones 2,5-disubstituted thiophenes Aryl chlorides Heteroaromatic compounds Furans Enoate esters Oxacyclic compounds Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl alkyl ketone - Fatty acid ester - 2,5-disubstituted thiophene - Alpha-acyloxy ketone - Aryl chloride - Aryl halide - Fatty acyl - Heteroaromatic compound - Furan - Thiophene - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organochloride - Organohalogen compound - Aldehyde - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
Not available