Compound Identification
SMILES
[O-][N+](=O)C1=CC(=CC=C1)S(=O)OS(=O)OC1=CC=C(C=C1)C#N
InChIKey
InChIKey=VXAFWSKCXRUOTN-UHFFFAOYSA-N
Formula
C13H8N2O6S2
Mass
352.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Phenoxy compounds Nitroaromatic compounds Benzonitriles Sulfinic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organosulfur compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrobenzene - Benzonitrile - Phenoxy compound - Nitroaromatic compound - C-nitro compound - Sulfinic acid derivative - Organic nitro compound - Carbonitrile - Nitrile - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available