Compound Identification
SMILES
CO[C@@H]1[C@@H]2C[C@@H](COS(=O)(=O)C3=CC=C(C)C=C3)[C@@H](CC(=O)O2)[C@H]1C(=O)OC
InChIKey
InChIKey=SXJFMTZSCJQRPI-HQLVEWEZSA-N
Formula
C19H24O8S
Mass
412.45
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 Benzenesulfonyl compounds Arylsulfonic acids and derivatives Oxepanes Organosulfonic acid esters Dicarboxylic acids and derivatives Sulfonyls Methyl esters Lactones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Caprolactone - Oxepane - Toluene - Dicarboxylic acid or derivatives - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Methyl ester - Lactone - Carboxylic acid ester - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - 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