Structure Information
Structure

Compound Identification

SMILES

CC1=CN2C=C(N=C2C=C1)C1=CC(NS(=O)(=O)C2=CC(=C(C)C(=C2)[N+]([O-])=O)[N+]([O-])=O)=CC=C1

InChIKey

InChIKey=RDNPYUKAJRWTFS-UHFFFAOYSA-N

Formula

C21H17N5O6S

Mass

467.46

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Nitrotoluenes

Direct Parent

Dinitrotoluenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dinitrotoluene - P-toluenesulfonamide - 4-phenylimidazole - 5-phenylimidazole - Benzenesulfonamide - Sulfanilide - Imidazo[1,2-a]pyridine - Benzenesulfonyl group - Imidazopyridine - Nitrobenzene - Nitroaromatic compound - Methylpyridine - Organosulfonic acid amide - Pyridine - N-substituted imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Imidazole - Aminosulfonyl compound - Sulfonyl - Azole - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dinitrotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and exactly two nitro groups.

External Descriptors

Not available

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