Compound Identification
SMILES
[Na+].CCN1C(=S)S\C(C1=O)=C1\SC(=S)N(N1C)C1=CC(=CC=C1)S([O-])(=O)=O
InChIKey
InChIKey=MFPZOMKINXNKNJ-VHPXAQPISA-M
Formula
C14H12N3NaO4S5
Mass
469.56
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 Thiazolidinethiones Vinylogous amides Thiadiazolidines Sulfonyls Organosulfonic acids Cyclic dithiocarbamic acid esters Azacyclic compounds Carboxylic acids and derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Organic sodium salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Thiazolidinethione - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiadiazolidine - Thiazolidine - Cyclic dithiocarbamic acid ester - Vinylogous amide - Dithiocarbamic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Organic alkali metal salt - Azacycle - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic salt - Organic sodium salt - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - 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