Structure Information
Structure

Compound Identification

SMILES

C[C@@H](C1=C(C=C)C(=O)O[C@H]1C1=COC=C1)C1=C2COC(=O)C2=CC=C1

InChIKey

InChIKey=SOQMKYUDTQPTRT-ZMZPIMSZSA-N

Formula

C20H16O5

Mass

336.343

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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

Dicarboxylic acids and derivatives Butenolides Benzenoids Heteroaromatic compounds Furans Enoate esters Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalide - 2-furanone - Dicarboxylic acid or derivatives - Benzenoid - Dihydrofuran - Heteroaromatic compound - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - 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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