Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]1CC[C@]2([C@H](COC3=C(F)C=CC(F)=C23)C1)S(=O)(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=OCEVAUHIFWZVTM-RWYJCYHVSA-N
Formula
C27H25ClF2O6S2
Mass
583.06
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
-
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 1-benzopyrans Arylsulfonic acids and derivatives Benzenesulfonyl compounds Alkyl aryl ethers Chlorobenzenes Organosulfonic acid esters Aryl chlorides Aryl fluorides Sulfones Oxacyclic compounds Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonate ester - P-methylbenzenesulfonate - Chromane - Benzopyran - Tosyl compound - 1-benzopyran - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Organosulfonic acid ester - Aryl fluoride - Aryl halide - Aryl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Sulfonyl - Organoheterocyclic compound - Oxacycle - Ether - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organooxygen 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