Compound Identification
SMILES
CC(=O)OC1=C(Br)C(=C(OC(C)=O)C(Br)=C1C)C1=C(C)C(Br)=C(C)C=C1C
InChIKey
InChIKey=XGDVJZYRPWFLQT-UHFFFAOYSA-N
Formula
C20H19Br3O4
Mass
563.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
-
Level 5
Brominated biphenyls
- Level 6 Polybrominated biphenyls
-
Level 5
Brominated biphenyls
-
Subclass
Biphenyls and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Brominated biphenyls
Direct Parent
Polybrominated biphenyls
Alternative Parents
Phenol esters Phenoxy compounds 1,4-dihalobenzenes Toluenes Bromobenzenes Dicarboxylic acids and derivatives Aryl bromides Carboxylic acid esters Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Polybrominated biphenyl - Phenol ester - Phenoxy compound - 1,4-dihalobenzene - Bromobenzene - Toluene - Halobenzene - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organobromide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as polybrominated biphenyls. These are organic aromatic compounds containing a biphenyl moiety, which is substituted at two or more ring positions by a bromine atom.
External Descriptors
Not available