Compound Identification
SMILES
[Na+].NC1=CC(N)=C(C=C1N\N=C1/C=C(C=C(C1=O)[N+]([O-])=O)[N+]([O-])=O)S([O-])(=O)=O
InChIKey
InChIKey=FOSUMKJMZSXABG-QOVZSLTQSA-M
Formula
C12H9N6NaO8S
Mass
420.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonic acids and derivatives
Alternative Parents
1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aniline and substituted anilines Phenylhydrazines Sulfonyls Organosulfonic acids C-nitro compounds Cyclic ketones Hydrazones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Primary amines Organic zwitterions Organic sodium salts
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Phenylhydrazine - Aniline or substituted anilines - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organic nitro compound - Ketone - C-nitro compound - Cyclic ketone - Organic alkali metal salt - Hydrazone - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Primary amine - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic sodium salt - Organic oxygen compound - Organic oxide - Organic zwitterion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
External Descriptors
Not available