Compound Identification
SMILES
CCC1=C(Br)C(CC)=C2SC3=C(C=CC(Br)=C3CC)C2=C1
InChIKey
InChIKey=IMRZCEYYQMHDRF-UHFFFAOYSA-N
Formula
C18H18Br2S
Mass
426.21
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
Dibenzothiophenes 1-benzothiophenes Aryl bromides Thiophenes Heteroaromatic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Polybrominated biphenyl - Dibenzothiophene - 1-benzothiophene - Benzothiophene - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Hydrocarbon derivative - 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