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Structure Information
Structure

Compound Identification

SMILES

[Na].CC1=C(CC2=C(F)C(NS(N)(=O)=O)=CC=C2)C(=O)OC2=C1C=CC(OC1=NC=CC=N1)=C2

InChIKey

InChIKey=AETANVCNOXUSOZ-UHFFFAOYSA-N

Formula

C21H17FN4NaO5S

Mass

479.44

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Diaryl ether - Coumarin - Sulfanilide - 1-benzopyran - Benzopyran - Phenol ether - Pyranone - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Pyran - Aryl fluoride - Sulfuric acid diamide - Organic sulfuric acid or derivatives - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Ether - Organic alkali metal salt - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organonitrogen compound - Organofluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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