Structure Information
Structure

Compound Identification

SMILES

CNC1=C(CC=C(C(O)C(C)(C(=O)OC)C2=CC=CC=C2)C(F)(F)F)C(OC)=C(C)C2=C1C(=O)OC2

InChIKey

InChIKey=BQWRYDQGTLUOPT-UHFFFAOYSA-N

Formula

C26H28F3NO6

Mass

507.506

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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

Phthalide - Methoxyaniline - Anisole - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Fatty acid ester - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Hydroxy acid - Fatty acyl - Benzenoid - Vinylogous amide - Methyl ester - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Oxacycle - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Alkyl fluoride - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organopnictogen compound - Alcohol - Organic oxygen compound - Organonitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - 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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