Compound Identification
SMILES
CC1=C(C2=C(C=C1)N=C(S2)C1=C(C=C(N)C=C1)S(O)(=O)=O)S(O)(=O)=O
InChIKey
InChIKey=HCHWBHDUXGYWHU-UHFFFAOYSA-N
Formula
C14H12N2O6S3
Mass
400.44
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
Benzothiazoles Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines Thiazoles Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - 1,3-benzothiazole - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Thiazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Amine - Organic nitrogen compound - Primary amine - Organic oxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic heteropolycyclic 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