Compound Identification
SMILES
CCCC(C)(OC1=CC=C(SCC2=CC=C(Cl)C=C2)C=C1)C(=O)OCC
InChIKey
InChIKey=KIQRLJBLHINPQJ-UHFFFAOYSA-N
Formula
C21H25ClO3S
Mass
392.94
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
Thiophenol ethers Phenoxy compounds Phenol ethers Fatty acid esters Chlorobenzenes Alkylarylthioethers Alkyl aryl ethers Aryl chlorides Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Phenoxy compound - Aryl thioether - Phenol ether - Thiophenol ether - Alkyl aryl ether - Chlorobenzene - Fatty acid ester - Halobenzene - Alkylarylthioether - Fatty acyl - Aryl chloride - Aryl halide - Carboxylic acid ester - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Carbonyl group - Organohalogen compound - Organochloride - 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