Compound Identification
SMILES
CC(C)C1=NC(C)=CC(OCC2=C(CSC3=CC(C)=C(OCC(O)=O)C=C3)SC(=C2)C2=CC=C(C=C2)C(F)(F)F)=N1
InChIKey
InChIKey=KLLQGNQTOIOCNG-UHFFFAOYSA-N
Formula
C30H29F3N2O4S2
Mass
602.69
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 2,3,5-trisubstituted thiophenes Toluenes Alkyl aryl ethers Alkylarylthioethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Trifluoromethylbenzene - Phenoxy compound - Aryl thioether - Phenol ether - 2,3,5-trisubstituted thiophene - Thiophenol ether - Alkyl aryl ether - Toluene - Alkylarylthioether - Pyrimidine - Heteroaromatic compound - Thiophene - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Thioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - 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