Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(CS(=O)(=O)C2=CC=CC=[N+]2[O-])C=C1)[N+]([O-])=O

InChIKey

InChIKey=APKHFZFZWXCQRY-UHFFFAOYSA-N

Formula

C13H12N2O5S

Mass

308.31

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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 heteromonocyclic compounds

Substituents

Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Toluene - Pyridine - Pyridinium - Sulfone - Sulfonyl - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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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