Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC1=CC=C(Cl)C=C1)SCC(O)=O

InChIKey

InChIKey=RFZYLJURCGFATE-UHFFFAOYSA-N

Formula

C12H13ClO4S

Mass

288.74

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Dicarboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Thiodiacetic acid derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Thiodiacetic_acid - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Carboxylic acid ester - Dialkylthioether - Carboxylic acid - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as thiodiacetic acid derivatives. These are compounds containing a thiodiacetic acid group (or esters/salts thereof) which is made up of two 2-sulfanylacetic (OC(=O)CS) acid moieties sharing their sulfur atom.

External Descriptors

Not available

Previous Back Next