Compound Identification
SMILES
CC(SCC1=CC=C(Cl)C=C1)C(C)(OC1=CC=C(O)C=C1)C(O)=O
InChIKey
InChIKey=XNGRARKNFIXNPX-UHFFFAOYSA-N
Formula
C18H19ClO4S
Mass
366.86
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
4-alkoxyphenols Phenoxy compounds Phenol ethers Thia fatty acids 1-hydroxy-2-unsubstituted benzenoids Hydroxy fatty acids Alkyl aryl ethers Chlorobenzenes Aryl chlorides Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - 4-alkoxyphenol - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Chlorobenzene - Halobenzene - Hydroxy fatty acid - Thia fatty acid - Phenol - Aryl chloride - Aryl halide - Fatty acyl - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Ether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Organosulfur 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