Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=KLUYSLIUVIKQLH-UHFFFAOYSA-N

Formula

C21H17BrN4O6S

Mass

533.35

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Not available

Direct Parent

Tosyl compounds

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Tosyl compound - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Sulfone - Sulfonyl - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Hydrazone - Organic oxoazanium - Organic zwitterion - Organobromide - Organonitrogen compound - Organohalogen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom).

External Descriptors

Not available

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