Compound Identification
SMILES
COC(=O)[C@@H](OC1=CC=C(OC)C=C1)[C@@H](COS(C)(=O)=O)NOC1=CC=C(OC)C=C1
InChIKey
InChIKey=JJKBFMLWNAQENI-MOPGFXCFSA-N
Formula
C20H25NO9S
Mass
455.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Beta amino acids and derivatives N-alkyl-O-phenylhydroxylamines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Fatty acid esters Sulfonic acid esters Organosulfonic acid esters Monosaccharides Sulfonyls Methyl esters Methanesulfonates N-organohydroxylamines Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Phenoxyacetate - N-alkyl-o-phenylhydroxylamine - Anisole - Phenoxy compound - O-phenylhydroxylamine - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Organosulfonic acid ester - Sulfonic acid ester - Fatty acyl - Monosaccharide - Methyl ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Carboxylic acid ester - N-organohydroxylamine - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available