Compound Identification
SMILES
CC1=C(OCC(O)=O)C=CC(SCC2=C(CSC3=CC=C(Br)C=C3)N=C(S2)C2=CC=C(C=C2)C(F)(F)F)=C1
InChIKey
InChIKey=YHZSEGLZGIHDDC-UHFFFAOYSA-N
Formula
C27H21BrF3NO3S3
Mass
640.55
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 2,4,5-trisubstituted thiazoles Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Alkylarylthioethers Bromobenzenes Aryl bromides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organobromides Carbonyl compounds Alkyl fluorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Trifluoromethylbenzene - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Aryl thioether - Phenol ether - Thiophenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Toluene - Alkylarylthioether - Aryl bromide - Aryl halide - Thiazole - Heteroaromatic compound - Azole - Thioether - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Sulfenyl compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Organic oxygen 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