Compound Identification
SMILES
CCN1C(=S)SC(=CC2=CC(=C(OC)C=C2)S(O)(=O)=O)C1=O
InChIKey
InChIKey=RERKZBCPFASKEK-UHFFFAOYSA-N
Formula
C13H13NO5S3
Mass
359.43
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 Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Thiazolidinethiones Sulfonyls Organosulfonic acids Cyclic dithiocarbamic acid esters Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - Alkyl aryl ether - Thiazolidinethione - Thiazolidine - Sulfonyl - Organic sulfonic acid or derivatives - Dithiocarbamic acid ester - Organosulfonic acid or derivatives - Organosulfonic acid - Cyclic dithiocarbamic acid ester - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - 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