Structure Information
Structure

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

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

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

Previous Back Next