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Structure Information
Structure

Compound Identification

SMILES

O[C@H]1[C@H](O)[C@@H]2SC[C@H]1OC2SC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=YJJGMRILRFRDNZ-IKQSSVLVSA-N

Formula

C12H13NO5S2

Mass

315.36

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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 heteropolycyclic compounds

Substituents

Nitrobenzene - Aryl thioether - Nitroaromatic compound - Monosaccharide - Oxane - 1,4-oxathiane - Thiane - Monothioacetal - 1,2-diol - C-nitro compound - Organic nitro compound - Secondary alcohol - Oxacycle - Organic oxoazanium - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Alcohol - Organonitrogen compound - Aromatic heteropolycyclic 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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