Structure Information
Structure

Compound Identification

SMILES

CCCCCCC(C)C1=CC(=C(C)C(=C1OC([O-])=S)[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=AFGYKDMWIBZAQE-UHFFFAOYSA-M

Formula

C16H21N2O6S

Mass

369.41

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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 - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Thiocarbonic acid monoester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Organic cation - 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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