A resorcin[4]arene hexameric capsule as a supramolecular catalyst in elimination and isomerization reactions

Tommaso Lorenzetto, Fabrizio Fabris and Alessandro Scarso
Beilstein J. Org. Chem. 2022, 18, 337–349. https://doi.org/10.3762/bjoc.18.38

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula [C14H13]+
Molecular Weight 181.25 g/mol
Exact Mass 181.1017 Da
InChI
InChI=1S/C14H13/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3/q+1
InChIKey
SOZPCYHTVLSTJQ-UHFFFAOYSA-N
SMILES
C([H])([H])([H])[C+](C1=CC=CC=C1)C2=CC=CC=C2
Number of Atoms 27
Number of H-Bond Acceptors 0
Number of H-Bond Donors 0
Atoms in the Largest π-System 13
XLogP 5.0
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