Compound Identification
SMILES
CC1=C(OCC(O)=O)C=CC(OCC2=C(COC3=C(F)C=CC=C3Cl)N=C(S2)C2=CC=C(C=C2)C(F)(F)F)=C1
InChIKey
InChIKey=XGSCRUFBIKAYDA-UHFFFAOYSA-N
Formula
C27H20ClF4NO5S
Mass
581.96
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 Phenoxy compounds Phenol ethers 2,4,5-trisubstituted thiazoles Toluenes Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Organochlorides Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Trifluoromethylbenzene - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azole - Thiazole - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Alkyl fluoride - Organohalogen compound - Organochloride - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organofluoride - Organonitrogen compound - 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