Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(Cl)CSCC(Cl)C(=O)OC.COC(=O)C(Cl)CSC(CCl)C(=O)OC.COC(=O)C(CCl)SC(CCl)C(=O)OC

InChIKey

InChIKey=UOVYVQKGLZYDCU-UHFFFAOYSA-N

Formula

C24H36Cl6O12S3

Mass

825.42

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

Sulfur mustard compounds Methyl esters Alpha-halocarboxylic acid derivatives Sulfenyl compounds Dialkylthioethers Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides

Molecular Framework

Not available

Substituents

Thiodiacetic_acid - Sulfur mustard - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Dialkylthioether - Sulfenyl compound - Thioether - Alkyl chloride - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Aliphatic acyclic 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