Structure Information
Structure

Compound Identification

SMILES

[Na+].[O-]C(=O)C12CC1C1=CC(Cl)=C(CC3=CC=CC=C3)C=C1O[C@H]2C(F)(F)F

InChIKey

InChIKey=ORSKYNOKSANJRG-RLOLYXROSA-M

Formula

C19H13ClF3NaO3

Mass

404.74

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxepine - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Carboxylic acid salt - Organic alkali metal salt - Oxacycle - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic salt - Organic oxygen compound - Organic sodium salt - Alkyl halide - Organohalogen compound - Organochloride - Organofluoride - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).

External Descriptors

Not available

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