Compound Identification
SMILES
OS(=O)(=O)C1=CC=CC=C1C=C1SC(=S)N(CC=C)C1=O
InChIKey
InChIKey=KPBPEGBNGQNNNY-UHFFFAOYSA-N
Formula
C13H11NO4S3
Mass
341.41
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
Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Thiazolidinethiones Sulfonyls Organosulfonic acids Cyclic dithiocarbamic acid esters Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Dithiocarbamic acid ester - Thiazolidine - Sulfonyl - Organosulfonic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - 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