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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
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Level 5
Nitrotoluenes
- Level 6 Dinitrotoluenes
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Level 5
Nitrotoluenes
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Subclass
Toluenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Nitrotoluenes
Direct Parent
Dinitrotoluenes
Alternative Parents
Metal p-nitrophenoxides Nitrobenzenes Nitroaromatic compounds Phenoxides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives
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