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MNXM9606 is deprecated and here replaced by MNXM741630
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM741630 |
 |
| reference | envipathM:...be76269ea08c |
| formula | C9H7F5O4S |
| global charge | 0 |
| mol weight | 306.208 |
| InChIKey | MGLIXTMHEDMOPB-UHFFFAOYSA-N |
| InChI | InChI=1S/C9H7F5O4S/c10-7(11)4-18-6-3-1-2-5(9(12,13)14)8(6)19(15,16)17/h1-3,7H,4H2,(H,15,16,17) |
| SMILES | O=S(=O)(O)C1=C(OCC(F)F)C=CC=C1C(F)(F)F |
MNX internals
| InChI (mnx) | InChI=1/C9H7F5O4S/c10-7(11)4-18-6-3-1-2-5(9(12,13)14)8(6)19(15,16)17/h1-3,7H,4H2,(H,15,16,17) |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:5]([C:9]([F:12])([F:13])[F:14])=[C:8]([S:19]([OH:15])(=[O:16])=[O:17])[C:6]([O:18][CH2:4][CH:7]([F:10])[F:11])=[CH:3]1 |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|