Structure Information
Structure

Compound Identification

SMILES

OS(O)(=O)=O.NNC1=CC(=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=KLMVOCFYZRCHEK-UHFFFAOYSA-N

Formula

C6H9N3O6S

Mass

251.21

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Nitrobenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Nitrobenzenes

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Sulfuric acid - Organic sulfuric acid or derivatives - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Hydrazine derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.

External Descriptors

Not available

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