Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C(Cl)=C(OC(=O)CC\C(C)=C\CC2=C(NC(=O)N(C)C)C3=C(COC3=O)C(C)=C2OC)C=C1

InChIKey

InChIKey=WNNHJKPXYAPJBW-OVCLIPMQSA-N

Formula

C28H33ClN2O8

Mass

561.03

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isocoumarans

Subclass

Isobenzofuranones

Intermediate Tree Nodes

Not available

Direct Parent

Phthalides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenol ester - Phthalide - O-dimethoxybenzene - Dimethoxybenzene - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Fatty acid ester - Halobenzene - Fatty acyl - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Vinylogous amide - Urea - Lactone - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.

External Descriptors

Not available

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