Compound Identification
SMILES
NC(=N)SC1=C(C=CC=N1)[N+]([O-])=O.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
InChIKey
InChIKey=KGNUECBMQCCJKQ-UHFFFAOYSA-N
Formula
C12H9N7O9S
Mass
427.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
- Subclass Nitrophenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Nitrophenols
Intermediate Tree Nodes
Not available
Direct Parent
Nitrophenols
Alternative Parents
Nitrobenzenes Aryl thioethers Nitroaromatic compounds Pyridines and derivatives Heteroaromatic compounds Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Carboximidamides Hydrocarbon derivatives Imines Organic oxides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Not available
Substituents
Nitrophenol - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Isothiourea - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Carboximidamide - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Imine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
External Descriptors
Not available