Compound Identification
SMILES
COC(=O)\C=C1\CC[C@]2(C)[C@H](CCC[C@@]22O[C@@H]12)OS(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=FGHBRJWZFACGHL-HSXWSXDHSA-N
Formula
C21H26O6S
Mass
406.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
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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 Oxepanes Organosulfonic acid esters Sulfonyls Enoate esters Methyl esters Epoxides Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Oxepane - Toluene - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Alpha,beta-unsaturated carboxylic ester - Methyl ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Oxirane - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organosulfur compound - Organooxygen compound - 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