Structure Information
Structure

Compound Identification

SMILES

OS(=O)(=O)OCC1=C(C=C([NH2+][O-])C=C1[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=STSBIDGYLXWSEL-UHFFFAOYSA-N

Formula

C7H7N3O9S

Mass

309.21

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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 - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monosubstituted n-oxide - Organic oxoazanium - N-oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - 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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