Structure Information
Structure

Compound Identification

SMILES

C[C@H](O)C#CCOC1=C(SC2=C3CCCCC3=C(OCC(O)=O)C=C2)C=CC(COC2=CC=C(C=C2)C(F)(F)F)=C1

InChIKey

InChIKey=BHFPIRBQUYNQBU-FQEVSTJZSA-N

Formula

C31H29F3O6S

Mass

586.62

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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 homopolycyclic compounds

Substituents

Phenoxyacetate - Diarylthioether - Tetralin - Trifluoromethylbenzene - Phenol ether - Phenoxy compound - Aryl thioether - Thiophenol ether - Alkyl aryl ether - Secondary alcohol - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organofluoride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Alcohol - Alkyl fluoride - Carbonyl group - Alkyl halide - Organic oxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic 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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