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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Dicarboxylic acids and derivatives
- Level 5 Thiodiacetic acid derivatives
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Subclass
Dicarboxylic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Fatty acid esters Chlorobenzenes Aryl chlorides Methyl esters Sulfenyl compounds Dialkylthioethers Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
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