Compound Identification
SMILES
OC(=O)C[S+](CC(O)=O)C(=NC1CCCC=C1)C1=CC=CC=C1
InChIKey
InChIKey=HYZUZXAUFVLGQC-UHFFFAOYSA-O
Formula
C17H20NO4S
Mass
334.41
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
Benzene and substituted derivatives Carboxylic acids Organosulfur compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Thiodiacetic_acid - Benzenoid - Monocyclic benzene moiety - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic cation - 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