Compound Identification
SMILES
[I-].CC(C)(OC1=CC=C(Cl)C=C1)C(=O)OCC[N+](C)(C)C
InChIKey
InChIKey=KRGXSBJGFGEPBC-UHFFFAOYSA-M
Formula
C15H23ClINO3
Mass
427.71
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
Acyl cholines Phenoxy compounds Phenol ethers Chlorobenzenes Alkyl aryl ethers Aryl chlorides Tetraalkylammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organochlorides Organic oxides Organic iodide salts Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Acyl choline - Phenoxy compound - Phenol ether - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - 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