Structure Information
Structure

Compound Identification

SMILES

OCCNCCO.OC(=O)CSC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=JDRZWZDXRKISJZ-UHFFFAOYSA-N

Formula

C12H17N3O8S

Mass

363.34

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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

Not available

Substituents

Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Alkylarylthioether - 1,2-aminoalcohol - C-nitro compound - Organic nitro compound - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic oxoazanium - Secondary amine - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary alcohol - Alcohol - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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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