Compound Identification
SMILES
CC1=C(C=C(C=C1C([O-])=O)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=CDVNZMKTJIBBBV-UHFFFAOYSA-M
Formula
C8H5N2O6
Mass
225.137
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
-
Level 5
Nitrotoluenes
- Level 6 Dinitrotoluenes
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Level 5
Nitrotoluenes
-
Subclass
Toluenes
-
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
Nitrobenzoic acids and derivatives Nitrobenzenes Benzoic acids Nitroaromatic compounds Benzoyl derivatives Carboxylic acid salts Organic oxoazanium compounds Carboxylic acids Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitrotoluene - Nitrobenzoate - Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Carboxylic acid salt - C-nitro compound - Organic nitro compound - Organic oxoazanium - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen 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