Compound Identification
SMILES
CC(=O)O[C@H]1C[C@H](Br)C2=C([C@@H]1OC(C)=O)C1=CC3=CC=CC=C3C=C1C=C2
InChIKey
InChIKey=SETJHQUILZLWPY-JAXLGGSGSA-N
Formula
C22H19BrO4
Mass
427.294
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenanthrenes and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenanthrenes and derivatives
Alternative Parents
Anthracenes Tetralins Dicarboxylic acids and derivatives Carboxylic acid esters Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Phenanthrene - Anthracene - Tetralin - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
External Descriptors
Not available