Compound Identification
SMILES
[Na+].CCC[C@H](OC1=C(COC2=CC=C(OCC3=NC4=CC=CC=C4C=C3)C=C2)C=CC=C1Cl)C([O-])=O
InChIKey
InChIKey=DSQJLNWBCBNZLJ-SNYZSRNZSA-M
Formula
C28H25ClNNaO5
Mass
513.95
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
Quinolines and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Pyridines and derivatives Aryl chlorides Monosaccharides Heteroaromatic compounds Carboxylic acid salts Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic metal halides Organic sodium salts Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Quinoline - Phenol ether - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Monosaccharide - Pyridine - Heteroaromatic compound - Carboxylic acid salt - Organic metal halide - Azacycle - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic zwitterion - Organohalogen compound - Organochloride - Organic sodium salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Aromatic heteropolycyclic 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