Compound Identification
SMILES
NC1=CC(=C(O)C(=C1)S(O)(=O)=O)[N+]([O-])=O
InChIKey
InChIKey=WKPCPXPNQFUCHH-UHFFFAOYSA-N
Formula
C6H6N2O6S
Mass
234.18
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
Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Nitrobenzenes p-Aminophenols Aniline and substituted anilines Nitroaromatic compounds Sulfonyls Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Hydrocarbon derivatives Organic oxides Organic salts Organooxygen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Nitrophenol - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - 1-sulfo,2-unsubstituted aromatic compound - Aminophenol - P-aminophenol - Nitroaromatic compound - Aniline or substituted anilines - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organic salt - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic cation - Aromatic homomonocyclic 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