Structure Information
Structure

Compound Identification

SMILES

OC(CC1(CC1)C1=C(F)C=C(C=C1)C(F)(F)F)(C(=O)NC1=CC2=C(C=C1)C(=O)OC2)C(F)(F)F

InChIKey

InChIKey=ZVVLSPYGFUHMOR-UHFFFAOYSA-N

Formula

C22H16F7NO4

Mass

491.362

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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

Trifluoromethylbenzene - Phthalide - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Tertiary alcohol - Carboxamide group - Carboxylic acid ester - Fluorohydrin - Halohydrin - Lactone - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Alcohol - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen 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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