Compound Identification
SMILES
CC(C)=C1[C@@H](NC1=O)O[C@@H]1CO[C@H](O[C@H]1COS(=O)(=O)C1=CC=C(C)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=ANLNPXOLLNCTKC-CDPNLFKUSA-N
Formula
C24H27NO7S
Mass
473.54
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 Arylsulfonic acids and derivatives Benzenesulfonyl compounds 1,3-dioxanes Organosulfonic acid esters Sulfonyls Beta lactams Secondary carboxylic acid amides Azetidines Oxacyclic compounds Acetals Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Toluene - Meta-dioxane - Organosulfonic acid ester - Beta-lactam - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azetidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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