Compound Identification
SMILES
CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=DPEXLZCAXDWJRT-ZDUSSCGKSA-N
Formula
C21H24O5S
Mass
388.48
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 Thiophene carboxylic acids and derivatives Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Anisoles 2,3,5-trisubstituted thiophenes Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Benzoyl - Phenol ether - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Aryl alkyl ketone - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic 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