| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM1368099 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
| formula | C22H21ClF3O6 |
| charge | -1 |
| mass | 473.848 |
| reference | envipathM:...ac50990f88b7 |
| InChIKey | IOBYICSQEWFCFO-UHFFFAOYSA-M |
| InChI | InChI=1S/C22H22ClF3O6/c1-11(8-15(27)18(28)29)14-7-5-6-13(12(14)2)10-32-19(30)17-20(3,4)21(17,31)9-16(23)22(24,25)26/h5-7,9,17,31H,1,8,10H2,2-4H3,(H,28,29)/p-1 |
| SMILES | [CH2:1]=[C:11]([CH2:8][C:15]([C:18]([OH:28])=[O:29])=[O:27])[c:14]1[cH:7][cH:5][cH:6][c:13]([CH2:10][O:32][C:19]([CH:17]2[C:20]([CH3:3])([CH3:4])[C:21]2([CH:9]=[C:16]([C:22]([F:24])([F:25])[F:26])[Cl:23])[OH:31])=[O:30])[c:12]1[CH3:2] |
|
