Compound Identification
SMILES
OCC1=CN=CC=C1.CC(C)(OC1=CC=CC=C1Cl)C([O-])=O
InChIKey
InChIKey=PXSCMXPMLZTUIG-UHFFFAOYSA-M
Formula
C16H17ClNO4
Mass
322.77
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
Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Carboxylic acid salts Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Primary alcohols Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Aromatic alcohols Organic anions
Molecular Framework
Not available
Substituents
Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxylic acid salt - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Carboxylic acid - Alcohol - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic anion - Aromatic heteromonocyclic 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