Compound Identification
SMILES
CCCCC1=C(C(O)C2=CC=C(C=C2)C2=CC(Br)=C(O)C(Br)=C2)C2=CC=CC=C2O1
InChIKey
InChIKey=JGJRAZZIYPSROD-UHFFFAOYSA-N
Formula
C25H22Br2O3
Mass
530.256
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
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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
Benzofurans O-bromophenols Bromobenzenes Aryl bromides Heteroaromatic compounds Furans Secondary alcohols Oxacyclic compounds Organobromides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Polybrominated biphenyl - Benzofuran - 2-halophenol - 2-bromophenol - Bromobenzene - Phenol - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Furan - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic 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