Compound Identification
SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@@]11OCC[C@@H](CCOS(=O)(=O)C2=CC=C(C)C=C2)O1
InChIKey
InChIKey=LLOJBTUDQFLTTA-WAGURGNTSA-N
Formula
C22H34O5S
Mass
410.57
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 Menthane monoterpenoids Aromatic monoterpenoids Benzenesulfonyl compounds Arylsulfonic acids and derivatives Ketals Organosulfonic acid esters 1,3-dioxanes Sulfonyls Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methylbenzenesulfonate - Benzenesulfonate ester - Monoterpenoid - Tosyl compound - P-menthane monoterpenoid - Aromatic monoterpenoid - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Ketal - Toluene - Meta-dioxane - Organosulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Acetal - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - 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