Structure Information
Structure

Compound Identification

SMILES

CC1=C(SC(NC2=NN=C(O2)C2=CC(=CC(=C2C)[N+]([O-])=O)[N+]([O-])=O)=N1)C(=O)CC(=O)CC1=NC2=C(NC1=O)C=C(Cl)C=C2

InChIKey

InChIKey=PSDDZSHNCLRJTG-UHFFFAOYSA-N

Formula

C25H17ClN8O8S

Mass

624.97

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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 - Diazanaphthalene - Quinoxaline - Nitrobenzene - 2,4,5-trisubstituted 1,3-thiazole - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - 1,3-diketone - Aryl chloride - Aryl halide - Pyrazine - 1,3-dicarbonyl compound - 1,3-thiazol-2-amine - Oxadiazole - Azole - Heteroaromatic compound - Thiazole - 1,3,4-oxadiazole - Ketone - Lactam - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Oxacycle - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Organopnictogen compound - Organic zwitterion - Organic oxide - 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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