Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)COC1=C(OC)C=C(\C=C2/SC(=NC3=CC=CC=C3)N(CC3=CC=C(C=C3)C([O-])=O)C2=O)C(Br)=C1

InChIKey

InChIKey=LVIKAKLWBXRNCU-ALIWBALZSA-M

Formula

C29H24BrN2O7S

Mass

624.48

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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 - Benzoic acid or derivatives - Benzoic acid - Phenol ether - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl bromide - Aryl halide - Thiazolidine - Carboxylic acid salt - Isothiourea - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organobromide - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organic anion - 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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