Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(CC1=CC=C(F)C=C1)OC1=C(Br)C=C(C=C1Br)C1=C2C(SC3=CC=CC=C23)=C(Br)C2=CC=CC=C12

InChIKey

InChIKey=KKXKLBWKAATPPH-UHFFFAOYSA-N

Formula

C31H18Br3FO3S

Mass

729.25

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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 - Dibenzothiophene - Phenoxyacetate - 3-phenylpropanoic-acid - Naphthalene - 1-benzothiophene - Benzothiophene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Bromobenzene - Aryl fluoride - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organobromide - Organofluoride - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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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