Compound Identification
SMILES
CCOC(=O)C(=O)C(=O)C1=CC=CC=C1SCC1=CC=CC=C1
InChIKey
InChIKey=JSDSCVYQOHIIDF-UHFFFAOYSA-N
Formula
C18H16O4S
Mass
328.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpyruvic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyruvic acid derivatives
Alternative Parents
Thiophenol ethers Benzoyl derivatives Aryl ketones Fatty acid esters Beta-keto acids and derivatives Alkylarylthioethers Vinylogous thioesters Alpha-keto acids and derivatives Alpha-diketones Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpyruvate - Aryl thioether - Benzoyl - Aryl ketone - Thiophenol ether - Alkylarylthioether - Beta-keto acid - Fatty acid ester - Alpha-keto acid - Alpha-diketone - Vinylogous thioester - Fatty acyl - Keto acid - Carboxylic acid ester - Ketone - Sulfenyl compound - Carboxylic acid derivative - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.
External Descriptors
Not available