Structure Information
Structure

Compound Identification

SMILES

[Na+].CCCOC1=CC2=C(C=C1)[C@@H]([C@H]([C@@H]2C1=C(OCC([O-])=O)C=C(OC)C=C1)C(=O)OCC)C1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=XWAPPXMDNDMCTO-PMGSZYTFSA-M

Formula

C31H31NaO9

Mass

570.57

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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 heteropolycyclic compounds

Substituents

Phenoxyacetate - Indane - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Carboxylic acid salt - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Organic alkali metal salt - Oxacycle - Ether - Acetal - Carboxylic acid - Organic oxygen compound - Organic oxide - Organooxygen compound - Organic salt - Carbonyl group - Organic sodium salt - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic 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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