Compound Identification
SMILES
C[C@@H](OC1=C(Br)C=C(C=C1Br)C1=C2C(SC3=CC=CC=C23)=C(Br)C2=CC=CC=C12)C(O)=O
InChIKey
InChIKey=LWZGWGPBQQGFLO-GFCCVEGCSA-N
Formula
C25H15Br3O3S
Mass
635.16
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
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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
Naphthothiophenes Dibenzothiophenes 2-phenoxypropionic acids Phenoxyacetic acid derivatives 1-benzothiophenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Aryl bromides Thiophenes Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Polybrominated biphenyl - Naphthothiophene - Dibenzothiophene - 2-phenoxypropionic acid - Phenoxyacetate - Naphthalene - 1-benzothiophene - Benzothiophene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Thiophene - Heteroaromatic compound - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic oxide - Organobromide - Hydrocarbon derivative - Organohalogen compound - Organic oxygen 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