Compound Identification
SMILES
CC(=O)C(CSC(=O)C1=CC=CC=C1)C(C)=O
InChIKey
InChIKey=NLPVNXIUKGMRNQ-UHFFFAOYSA-N
Formula
C13H14O3S
Mass
250.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Thiobenzoic acids and derivatives Benzoyl derivatives Beta-diketones Thioesters Ketones Carbothioic S-esters Sulfenyl compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - 1,3-diketone - 1,3-dicarbonyl compound - Ketone - Thiocarboxylic acid ester - Carbothioic s-ester - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Sulfenyl compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors
Not available