Compound Identification
SMILES
[Na+].CC(C)C1=CC=C(OC(CCCCCC2=CC=C(Cl)C=C2)C([O-])=O)C=C1
InChIKey
InChIKey=AQUKTMUVEJGCGS-UHFFFAOYSA-M
Formula
C22H26ClNaO3
Mass
396.89
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
Phenylpropanes Cumenes Phenoxy compounds Phenol ethers Medium-chain fatty acids Alkyl aryl ethers Chlorobenzenes Aryl chlorides Monosaccharides Carboxylic acid salts Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Organic sodium salts Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monosaccharide - Fatty acyl - Fatty acid - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Organic metal halide - Monocarboxylic acid or derivatives - Ether - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Organic sodium salt - Organic cation - 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