Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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