Compound Identification
SMILES
CCCC(CSC(=O)C1=CC=CC=C1)C([O-])=O
InChIKey
InChIKey=IRPSKUODTFELCJ-UHFFFAOYSA-M
Formula
C13H15O3S
Mass
251.32
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 Thioesters Carboxylic acid salts Carbothioic S-esters Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - Carboxylic acid salt - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic anion - 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