Compound Identification
SMILES
CC(C)(C)C1=CC(CCCOC(=O)CSCC(=O)OCCCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C
InChIKey
InChIKey=PEFPYBFKAOURPD-UHFFFAOYSA-N
Formula
C38H58O6S
Mass
642.94
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
Phenylpropanes Phenols Carboxylic acid esters Sulfenyl compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpropane - Thiodiacetic_acid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Dialkylthioether - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - 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