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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
-
Level 5
Nitrotoluenes
- Level 6 Dinitrotoluenes
-
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
Monocyclic monoterpenoids Aromatic monoterpenoids Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Thiocarbonic acid monoesters Organic oxoazanium compounds Organooxygen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
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