Structure Information
Structure

Compound Identification

SMILES

COC1=C(C)C2=C(C(=O)OC2)C(Cl)=C1CC=O

InChIKey

InChIKey=IVXRMLLOMFQLIB-UHFFFAOYSA-N

Formula

C12H11ClO4

Mass

254.67

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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

Phenylacetaldehydes Anisoles Alkyl aryl ethers Aryl chlorides Vinylogous halides Alpha-hydrogen aldehydes Lactones Carboxylic acid esters Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalide - Phenylacetaldehyde - Anisole - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Vinylogous halide - Alpha-hydrogen aldehyde - Lactone - Carboxylic acid ester - Ether - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Aldehyde - 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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