Structure Information
Structure

Compound Identification

SMILES

CCCC1=C(OCC(=O)OC)C=CC=C1OCCCOC1=C(CC2CC2)C(OC)=C(C=C1)C1=CSC=N1

InChIKey

InChIKey=MWEKXADGESLAIL-UHFFFAOYSA-N

Formula

C29H35NO6S

Mass

525.66

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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 - Phenylpropane - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azole - Heteroaromatic compound - Methyl ester - Thiazole - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - 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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