Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC1COC2=C(O1)C(\C=N\O)=C(N)C=C2
InChIKey
InChIKey=BOUKMWYWYLXBQQ-UFWORHAWSA-N
Formula
C17H18N2O6S
Mass
378.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Benzo-1,4-dioxanes Benzenesulfonyl compounds Arylsulfonic acids and derivatives Alkyl aryl ethers Para dioxins Organosulfonic acid esters Sulfonyls Aldoximes Oxacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Benzo-1,4-dioxane - Benzodioxane - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Alkyl aryl ether - Toluene - Para-dioxin - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aldoxime - Ether - Oxacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Primary amine - 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