Structure Information
Structure

Compound Identification

SMILES

CC1=CC(CC(=O)OC2COC3C(O)COC23)=C(NC2=C(F)C=CC=C2Cl)C=C1

InChIKey

InChIKey=MQHPZLMQQQTZOS-UHFFFAOYSA-N

Formula

C21H21ClFNO5

Mass

421.85

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Furofurans

Subclass

Isosorbides

Intermediate Tree Nodes

Not available

Direct Parent

Isosorbides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isosorbide - Aminotoluene - Aniline or substituted anilines - Halobenzene - Fluorobenzene - Chlorobenzene - Toluene - Aryl chloride - Aryl fluoride - Aryl halide - Primary aromatic amine - Benzenoid - Monocyclic benzene moiety - Oxolane - Secondary alcohol - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Carboxylic acid derivative - Secondary amine - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isosorbides. These are organic polycyclic compounds containing an isosorbide(1,4-Dianhydrosorbitol) moiety, which consists of two -oxolan-3-ol rings.

External Descriptors

Not available

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