Compound Identification
SMILES
O[C@@H](COCCCCCCCCCCCCCCCCOC[C@H](O)COS(=O)(=O)C1=CC=CC(=C1)[N+]([O-])=O)COS(=O)(=O)C1=CC=CC(=C1)[N+]([O-])=O
InChIKey
InChIKey=IBHWVSYYMZTTMW-ACHIHNKUSA-N
Formula
C34H52N2O14S2
Mass
776.91
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
Arylsulfonic acids and derivatives Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Glycerol ethers Organosulfonic acid esters Sulfonyls Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzenesulfonate ester - Arylsulfonic acid or derivatives - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Glycerol ether - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - C-nitro compound - Secondary alcohol - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Dialkyl ether - Ether - Organic oxoazanium - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - 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