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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Furofurans
- Subclass Isosorbides
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Class
Furofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Furofurans
Subclass
Isosorbides
Intermediate Tree Nodes
Not available
Direct Parent
Isosorbides
Alternative Parents
Aminotoluenes Aniline and substituted anilines Fluorobenzenes Chlorobenzenes Primary aromatic amines Aryl chlorides Aryl fluorides Oxolanes Secondary alcohols Amino acids and derivatives Carboxylic acid esters Secondary amines Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
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