Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C2=C(C3=CC=CC=C3C(Br)=C2S1)C1=C(C=CC=C1Br)[N+]([O-])=O

InChIKey

InChIKey=QRZZEPXEEJXIFH-UHFFFAOYSA-N

Formula

C20H13Br2NO2S

Mass

491.2

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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 - Naphthalene - Benzothiophene - 1-benzothiophene - Nitrobenzene - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Thiophene - Organic nitro compound - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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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