Compound Identification
SMILES
OC(=O)C1=C\C(C=CC1=O)=N/NC1=C(C=C(C=C1)[N+]([O-])=O)S(O)(=O)=O
InChIKey
InChIKey=ALDPEIQXRVRFLS-AUWJEWJLSA-N
Formula
C13H9N3O8S
Mass
367.29
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 Nitrobenzenes Phenylhydrazines Nitroaromatic compounds Sulfonyls Organosulfonic acids Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Hydrazones Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Organic zwitterions Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - Nitrobenzene - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Nitroaromatic compound - Phenylhydrazine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - C-nitro compound - Organic nitro compound - Cyclic ketone - Organic 1,3-dipolar compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Hydrazone - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic zwitterion - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic salt - 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