Compound Identification
SMILES
ClC(Cl)=CCOC1=CC=CC2=C1CCC\C2=N/OCCOC1=CC(Br)=CC=C1
InChIKey
InChIKey=PSVKAABYAFGXAK-NCELDCMTSA-N
Formula
C21H20BrCl2NO3
Mass
485.2
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Phenoxy compounds Phenol ethers Bromobenzenes Alkyl aryl ethers Aryl bromides Ketene acetals Vinyl chlorides Chloroalkenes Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tetralin - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Ketene acetal or derivatives - Chloroalkene - Haloalkene - Ether - Vinyl halide - Vinyl chloride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available