Compound Identification
SMILES
COC1OCC(SC(=O)C2=CC=CC=C2)C(O)C1O
InChIKey
InChIKey=LGNQBGABKCQOCL-UHFFFAOYSA-N
Formula
C13H16O5S
Mass
284.33
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 Oxanes Monosaccharides Thioesters Secondary alcohols Carbothioic S-esters 1,2-diols Sulfenyl compounds Oxacyclic compounds Carboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Thiobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Oxane - Monosaccharide - Carbothioic s-ester - Thiocarboxylic acid ester - Secondary alcohol - 1,2-diol - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Alcohol - Aromatic heteromonocyclic 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