Compound Identification
SMILES
CNC(=O)C1=CC=C(C=C1)S(=O)(=O)OC1=C(OC)C=C(\C=C(/C)[N+]([O-])=O)C=C1
InChIKey
InChIKey=DOKRANQLTWADFN-ZRDIBKRKSA-N
Formula
C18H18N2O7S
Mass
406.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 Benzenesulfonate esters
-
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
Arylsulfonic acids and derivatives Benzamides Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Organosulfonic acid esters Sulfonyls Secondary carboxylic acid amides C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Benzoic acid or derivatives - Benzamide - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Methoxybenzene - Benzoyl - Phenol ether - Anisole - Phenoxy compound - Alkyl aryl ether - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Aromatic homomonocyclic 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