Compound Identification
SMILES
[O-]OOC1=CC=C(N\N=C2\C(=O)N(N=C2C([O-])=O)C2=CC=C(C=C2)S([O-])(=O)=O)C=C1
InChIKey
InChIKey=PQBVWUPXIGCPDU-QGOAFFKASA-K
Formula
C16H9N4O9S
Mass
433.33
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 Phenylhydrazines Phenoxy compounds Pyrazolones Sulfonyls Organosulfonic acids Carboperoxoic acids Carboxylic acid salts Hydrazones Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Phenylhydrazine - Pyrazolinone - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Carboxylic acid salt - Carboperoxoic acid - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic anion - Aromatic heteromonocyclic 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