Domino reactions of chromones with activated carbonyl compounds
Peter Langer
Beilstein J. Org. Chem. 2024, 20, 1256–1269.
https://doi.org/10.3762/bjoc.20.108
Chemical Information
Calculated using the Chemistry Development Kit 2.12
| Molecular Formula | C25H19BrO9 |
| Molecular Weight | 543.32 g/mol |
| Exact Mass | 542.0212 Da |
| InChI |
InChI=1S/C25H19BrO9/c1-32-24(30)14-11-17(20(28)12-7-3-5-9-15(12)27)35-22(14)18(25(31)33-2)23-19(26)21(29)13-8-4-6-10-16(13)34-23/h3-11,18-19,23,27H,1-2H3
|
| InChIKey |
YHQYCRIWBDDWKQ-UHFFFAOYSA-N
|
| SMILES |
COC(=O)C1=C(C(C2C(C(=O)C3=C(C=CC=C3)O2)Br)C(=O)OC)OC(=C1)C(=O)C4=C(C=CC=C4)O
|
| Number of Atoms | 54 |
| Number of H-Bond Acceptors | 9 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 17 |
| XLogP | 2.1 |
