LN-040532
INDEX NAME NOT YET ASSIGNED , 98% , 2660253-73-4
Update time: 2023-04-23
PRODUCT Properties
Boiling point: | 526.4±40.0 °C(Predicted) |
Density | 1?+-.0.06 g/cm3(Predicted) |
pka | 6.58±0.40(Predicted) |
InChI | InChI=1/C21H25NO4S/c1-15-18(20(21(23)26-2)27(3,24)25)14-22(15)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18-20H,14H2,1-3H3/t15-,18+,20+/s3 |
InChIKey | NXYFRMRKXSIELG-RAVDRVIXNA-N |
SMILES | [C@@H]([C@@]1([H])CN(C(C2C=CC=CC=2)C2C=CC=CC=2)[C@@H]1C)(S(=O)(=O)C)C(=O)OC |&1:0,1,18,r| |