Compound Identification
SMILES
CC1=C(OCC(O)=O)C=CC(SCC(COC2=CC=C(C=C2)C(F)(F)F)CC#N)=C1
InChIKey
InChIKey=CHEFOCUEUMWPNL-UHFFFAOYSA-N
Formula
C21H20F3NO4S
Mass
439.45
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 Alkyl aryl ethers Alkylarylthioethers Sulfenyl compounds Carboxylic acids Monocarboxylic acids and derivatives Nitriles Alkyl fluorides Hydrocarbon derivatives Organofluorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Trifluoromethylbenzene - Phenoxy compound - Aryl thioether - Phenol ether - Thiophenol ether - Alkyl aryl ether - Toluene - Alkylarylthioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Thioether - Sulfenyl compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Cyanide - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Alkyl halide - 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