Compound Identification
SMILES
O[C@H]1[C@H](O)[C@@H]2SC[C@H]1OC2SC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=YJJGMRILRFRDNZ-IKQSSVLVSA-N
Formula
C12H13NO5S2
Mass
315.36
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
Aryl thioethers Nitroaromatic compounds Thianes Monosaccharides Oxanes Oxathianes Monothioacetals 1,2-diols Secondary alcohols Oxacyclic compounds Organic oxoazanium compounds Sulfenyl compounds Dialkylthioethers Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Monosaccharide - Oxane - 1,4-oxathiane - Thiane - Monothioacetal - 1,2-diol - C-nitro compound - Organic nitro compound - Secondary alcohol - Oxacycle - Organic oxoazanium - Organoheterocyclic compound - Dialkylthioether - Organic 1,3-dipolar compound - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Alcohol - Organonitrogen compound - 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