Compound Identification
SMILES
COC(=O)C(CC(O)=O)SC(=O)C1=CC=CC=C1
InChIKey
InChIKey=SLOYKONOXFTPAA-UHFFFAOYSA-N
Formula
C12H12O5S
Mass
268.28
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 Thia fatty acids Fatty acid esters Dicarboxylic acids and derivatives Methyl esters Thioesters Carbothioic S-esters Sulfenyl compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - Fatty acid ester - Thia fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Methyl ester - Thiocarboxylic acid ester - Carbothioic s-ester - Carboxylic acid ester - Thiocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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