Compound Identification
SMILES
CC(C)(C)C1=CC=C(OC(CCCC2=CC=C(Cl)C=C2)C(O)=O)C=C1
InChIKey
InChIKey=CUDNHZMBOHDPIO-UHFFFAOYSA-N
Formula
C21H25ClO3
Mass
360.88
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 Phenoxy compounds Phenol ethers Medium-chain fatty acids Alkyl aryl ethers Branched fatty acids Chlorobenzenes Halogenated fatty acids Aryl chlorides Monosaccharides Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Phenylpropane - Phenoxy compound - Medium-chain fatty acid - Phenol ether - Alkyl aryl ether - Branched fatty acid - Chlorobenzene - Halobenzene - Halogenated fatty acid - Aryl chloride - Aryl halide - Fatty acyl - Fatty acid - Monosaccharide - Ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organooxygen 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