Compound Identification
SMILES
COCCCNC1=NC(NCCCOC)=C(N=NC2=C(C=C(C=C2)S(=O)(=O)CCOS(O)(=O)=O)S(O)(=O)=O)C(C)=C1C#N
InChIKey
InChIKey=XSKIDHVJVYFGJK-UHFFFAOYSA-N
Formula
C23H32N6O11S3
Mass
664.72
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 3-pyridinecarbonitriles Aminopyridines and derivatives Secondary alkylarylamines Methylpyridines Alkyl sulfates Sulfuric acid monoesters Imidolactams Heteroaromatic compounds Sulfones Organosulfonic acids Azo compounds Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - 3-pyridinecarbonitrile - Aminopyridine - Secondary aliphatic/aromatic amine - Methylpyridine - Imidolactam - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Pyridine - Sulfuric acid monoester - Sulfonyl - Organic sulfuric acid or derivatives - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Heteroaromatic compound - Azo compound - Dialkyl ether - Ether - Carbonitrile - Nitrile - Azacycle - Secondary amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Cyanide - Amine - Organic nitrogen compound - Organic oxygen compound - 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