Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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