Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC(=CC(=C1)C(=O)SC1=CC=CC=C1)[N+]([O-])=O

InChIKey

InChIKey=IFHMYOJKPRHZCR-UHFFFAOYSA-N

Formula

C13H8N2O5S

Mass

304.28

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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

Benzoic acid or derivatives - Nitrobenzene - Thiobenzoic acid or derivatives - Aryl thioether - Nitroaromatic compound - Benzoyl - C-nitro compound - Organic nitro compound - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxylic acid derivative - Organic oxoazanium - Thiocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - 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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