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 | C25H18O9 |
| Molecular Weight | 462.41 g/mol |
| Exact Mass | 462.0951 Da |
| InChI |
InChI=1S/C25H18O9/c1-31-23(29)14-11-17(19(27)12-7-3-5-9-15(12)26)34-21(14)25(24(30)32-2)18-20(28)13-8-4-6-10-16(13)33-22(18)25/h3-11,18,22,26H,1-2H3
|
| InChIKey |
ZZHKPKIGTNIHPA-UHFFFAOYSA-N
|
| SMILES |
COC(=O)C1=C(C2(C3C(=O)C4=C(C=CC=C4)OC32)C(=O)OC)OC(=C1)C(=O)C5=C(C=CC=C5)O
|
| Number of Atoms | 52 |
| Number of H-Bond Acceptors | 9 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 17 |
| XLogP | 1.4 |