Compound Identification
SMILES
CC1=C(OCC(O)=O)C=CC(SCC2=CC=C(S2)C2=CC=C(C=C2)C(F)(F)F)=C1
InChIKey
InChIKey=XEUGLMGFMXQQRN-UHFFFAOYSA-N
Formula
C21H17F3O3S2
Mass
438.48
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
Trifluoromethylbenzenes Thiophenol ethers Phenoxy compounds Phenol ethers Toluenes 2,5-disubstituted thiophenes Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Sulfenyl compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Trifluoromethylbenzene - Phenoxy compound - Aryl thioether - Phenol ether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - 2,5-disubstituted thiophene - Toluene - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Thioether - Organoheterocyclic compound - Sulfenyl compound - Organofluoride - Organohalogen compound - Alkyl halide - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Alkyl fluoride - 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