Compound Identification
SMILES
OCC1OC2(ON=C(S2)C2=CC=C(C=C2)[N+]([O-])=O)C(O)C(O)C1O
InChIKey
InChIKey=YVJHWAMIENOTBZ-UHFFFAOYSA-N
Formula
C13H14N2O8S
Mass
358.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Nitroaromatic compounds Monosaccharides Oxanes Monothioacetals 1,2-diols Secondary alcohols Oxacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Monosaccharide - Oxane - Monothioacetal - 1,2-diol - C-nitro compound - Organic nitro compound - Secondary alcohol - Oxacycle - Organic oxoazanium - Azacycle - Polyol - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary alcohol - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organic salt - Aromatic heteropolycyclic 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