Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](COC1CCCCO1)OCC1=CC=CC=C1
InChIKey
InChIKey=ZCMUGGVQDKNFRT-AIBWNMTMSA-N
Formula
C22H28O6S
Mass
420.52
Taxonomic Classification
Taxonomy Tree
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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 Benzylethers Benzenesulfonyl compounds Arylsulfonic acids and derivatives Glycerol ethers Oxanes Organosulfonic acid esters Sulfonyls Oxacyclic compounds Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzylether - Benzenesulfonyl group - Glycerol ether - Toluene - Oxane - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Acetal - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - 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