Compound Identification
SMILES
CCC(CC(C)C)(SCC(O)=O)C(O)=O
InChIKey
InChIKey=UPNYOOGWLPZJOC-UHFFFAOYSA-N
Formula
C10H18O4S
Mass
234.31
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
Thia fatty acids Methyl-branched fatty acids Sulfenyl compounds Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Thiodiacetic_acid - Methyl-branched fatty acid - Thia fatty acid - Branched fatty acid - Fatty acyl - Fatty acid - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - 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