Compound Identification
SMILES
BrC1=CC=C(C=C1)C1=CC(Br)=C(OC(=O)C2=CC=CO2)C(Br)=C1
InChIKey
InChIKey=KJPIHJJNQOHFLZ-UHFFFAOYSA-N
Formula
C17H9Br3O3
Mass
500.968
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
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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 Furoic acid esters Phenoxy compounds Bromobenzenes Aryl bromides Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Polybrominated biphenyl - Phenol ester - Furoic acid ester - Furoic acid or derivatives - Phenoxy compound - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Heteroaromatic compound - Furan - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic 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