Compound Identification
SMILES
CC1=CC=CC(C(=O)C(O)=O)=C1SC\C=C\C#CC(C)(C)C
InChIKey
InChIKey=FPNGMXALYBZDOJ-FNORWQNLSA-N
Formula
C18H20O3S
Mass
316.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoyl derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoyl derivatives
Alternative Parents
Thiophenol ethers Aryl ketones Toluenes Alkylarylthioethers Vinylogous thioesters Alpha-keto acids and derivatives Alpha-hydroxy ketones Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aryl thioether - Benzoyl - Aryl ketone - Thiophenol ether - Alkylarylthioether - Toluene - Alpha-keto acid - Vinylogous thioester - Keto acid - Alpha-hydroxy ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
External Descriptors
Not available