Compound Identification
SMILES
[Na+].NC1=C(C=CC(N\N=C2\C(=O)C=C\C(=N/NC3=C(C=C(C=C3)[N+]([O-])=O)S([O-])(=O)=O)C2=O)=C1)[N+]([O-])=O
InChIKey
InChIKey=SLRHXJOESLBLRB-RZNNUUILSA-M
Formula
C18H12N7NaO9S
Mass
525.38
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 Nitrobenzenes Phenylhydrazines Aniline and substituted anilines Nitroaromatic compounds M-benzoquinones Sulfonyls Organosulfonic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrazones Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Primary amines
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Nitrobenzene - 1-sulfo,2-unsubstituted aromatic compound - Nitroaromatic compound - Quinone - M-benzoquinone - Aniline or substituted anilines - Phenylhydrazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - C-nitro compound - Organic nitro compound - Cyclic ketone - Organic 1,3-dipolar compound - Organic oxoazanium - Organic alkali metal salt - Propargyl-type 1,3-dipolar organic compound - Hydrazone - Allyl-type 1,3-dipolar organic compound - Amine - Primary amine - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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