Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(C(=O)OC)=C(OCC#C)C=C1

InChIKey

InChIKey=OZMBRTJYYWTRBD-UHFFFAOYSA-N

Formula

C13H12O5

Mass

248.234

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Phthalic acid and derivatives - Phthalate esters

Direct Parent

m-Phthalate esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Acetylide - Carboxylic acid derivative - Ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.

External Descriptors

Not available

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