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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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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
Quinoxalines Nitrobenzenes 2,4,5-trisubstituted thiazoles Aryl alkyl ketones Nitroaromatic compounds Beta-diketones Pyrazines 2-amino-1,3-thiazoles Aryl chlorides 1,3,4-oxadiazoles Heteroaromatic compounds Lactams Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organic zwitterions Organochlorides Hydrocarbon derivatives Organic oxides
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