Compound Identification
SMILES
COC1=CN=C2NC(=CC2=C1S(=O)(=O)C1=CC=CC=C1)C(OS(=O)(=O)C1=CC=C(C)C=C1)=CC1CCCC1
InChIKey
InChIKey=JJJANNVWUVBVKN-UHFFFAOYSA-N
Formula
C28H28N2O6S2
Mass
552.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonate esters
Alternative Parents
p-Methylbenzenesulfonates Tosyl compounds Pyrrolopyridines Benzenesulfonyl compounds Arylsulfonic acids and derivatives Alkyl aryl ethers Substituted pyrroles Pyridines and derivatives Organosulfonic acid esters Sulfones Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Pyrrolopyridine - Benzenesulfonyl group - Alkyl aryl ether - Toluene - Pyridine - Substituted pyrrole - Organosulfonic acid ester - Heteroaromatic compound - Pyrrole - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Organoheterocyclic compound - Ether - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzenesulfonate esters. These are arenesulfonate esters that result from the formal condensation of the hydroxy group of an alcohol, enol, phenol or heteroarenol with benzenesulfonic acid.
External Descriptors
Not available