Structure Information
Structure

Compound Identification

SMILES

[Ba++].CC1=CC(=CC(=C1[O-])[N+]([O-])=O)[N+]([O-])=O.CC1=CC(=CC(=C1[O-])[N+]([O-])=O)[N+]([O-])=O

InChIKey

InChIKey=IPTLYQVVKJEQQW-UHFFFAOYSA-L

Formula

C14H10BaN4O10

Mass

531.579

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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

Not available

Substituents

Dinitrotoluene - Metal p-nitrophenoxide - Nitrobenzene - Nitroaromatic compound - Phenoxide - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen 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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