Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(C=C1C(=O)NCCC1=CC=C(C=C1)S(N)(=O)=O)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=SSTUTSIJCQKTCZ-UHFFFAOYSA-N

Formula

C16H16N4O7S

Mass

408.39

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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 homomonocyclic compounds

Substituents

Dinitrotoluene - Benzenesulfonamide - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - O-toluamide - Toluamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Organic oxygen compound - Organic zwitterion - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic homomonocyclic 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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