Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)NN=CC1=C(OS(=O)(=O)C2=CC=CC(=C2)[N+]([O-])=O)C=CC2=CC=CC=C12
InChIKey
InChIKey=MHGIPPSTXYPHTH-UHFFFAOYSA-N
Formula
C25H19N3O6S
Mass
489.5
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
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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
Naphthalenes p-Toluamides Arylsulfonic acids and derivatives Benzenesulfonyl compounds Benzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Organosulfonic acid esters Sulfonyls Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Benzenesulfonate ester - Naphthalene - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - P-toluamide - Toluamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Toluene - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic salt - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic 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