Compound Identification
SMILES
[Br-].CCCCCCC(CC)(CC)[NH2+]C(CC)OC1=CC2=C(C=C1)C(=O)CO2
InChIKey
InChIKey=DXTCLKKVYLRTQB-UHFFFAOYSA-N
Formula
C22H36BrNO3
Mass
442.438
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzofurans
Alternative Parents
Coumarans Phenol ethers Aryl alkyl ketones Alkyl aryl ethers Quaternary ammonium salts Oxacyclic compounds Organic zwitterions Organic oxides Organic bromide salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzofuran - Coumaran - Phenol ether - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Quaternary ammonium salt - Ketone - Ether - Oxacycle - Organic zwitterion - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organic bromide salt - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
External Descriptors
Not available