Structure Information
Structure

Compound Identification

SMILES

COC1=C(Br)C2=C(C(=O)OC2)C(O)=C1C\C=C(/C)CCC(O)=O

InChIKey

InChIKey=HDTARZBAAGTXFM-FPYGCLRLSA-N

Formula

C16H17BrO6

Mass

385.21

Export to:

JSON SDF CSV

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

Phthalide - 4-halophenol - 4-bromophenol - Phenol ether - Medium-chain fatty acid - Anisole - Methyl-branched fatty acid - Halogenated fatty acid - Alkyl aryl ether - Phenol - Hydroxy fatty acid - Heterocyclic fatty acid - Branched fatty acid - Benzenoid - Unsaturated fatty acid - Fatty acid - Fatty acyl - Aryl halide - Aryl bromide - Vinylogous acid - Carboxylic acid ester - Lactone - Ether - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organohalogen compound - Organobromide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - 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

Previous Back Next