Compound Identification
SMILES
COC1=CC=CC2=C1OC[C@@H](COS(=O)(=O)C1=CC=C(C)C=C1)O2
InChIKey
InChIKey=XSVVGASNIACUGM-ZDUSSCGKSA-N
Formula
C17H18O6S
Mass
350.39
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 Benzo-1,4-dioxanes Benzenesulfonyl compounds Arylsulfonic acids and derivatives Anisoles Alkyl aryl ethers Para dioxins Organosulfonic acid esters Sulfonyls Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Benzo-1,4-dioxane - Benzodioxane - Tosyl compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Toluene - Organosulfonic acid ester - Para-dioxin - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Organoheterocyclic compound - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - 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