Compound Identification
SMILES
CC(=O)C1=CC=C(SCC2=C(O)C=C3CCCOC3=C2)C=C1
InChIKey
InChIKey=DXVWTIIXQKEDBA-UHFFFAOYSA-N
Formula
C18H18O3S
Mass
314.4
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
1-benzopyrans Acetophenones Thiophenol ethers Benzoyl derivatives Aryl alkyl ketones Alkylarylthioethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Sulfenyl compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Chromane - 1-benzopyran - Benzopyran - Acetophenone - Aryl thioether - Aryl alkyl ketone - Thiophenol ether - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Alkylarylthioether - Phenol - Monocyclic benzene moiety - Benzenoid - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Ether - Organic oxide - Hydrocarbon derivative - Organosulfur compound - 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