Compound Identification
SMILES
CC1=C(C)C2=C(C3=CC(C4CCCC4)=C(O[C@H](CC4=CC=CC=C4)C(O)=O)C(Br)=C3)C3=CC=CC=C3C(Br)=C2S1
InChIKey
InChIKey=YAOYCQWMCKCRAD-MUUNZHRXSA-N
Formula
C34H30Br2O3S
Mass
678.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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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
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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 Phenylpropanoic 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 Hydrocarbon derivatives Organobromides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Polybrominated biphenyl - Naphthothiophene - 3-phenylpropanoic-acid - Phenoxyacetate - Naphthalene - 1-benzothiophene - Benzothiophene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Thiophene - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organobromide - Organic oxygen compound - 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