| Properties | Image |
|---|
| MNX_ID | MNXM1187890 |
 |
| reference | envipathM:...0c3a0b4fec2a |
| formula | C18H19ClF3O5 |
| global charge | -1 |
| mol weight | 407.792 |
| InChIKey | VNWNMSIAFXUBAU-UHFFFAOYSA-M |
| InChI | InChI=1S/C18H20ClF3O5/c1-17(2)12(6-13(19)18(20,21)22)14(17)16(26)27-8-9-4-3-5-10(15(24)25)11(9)7-23/h3-5,12-14,23H,6-8H2,1-2H3,(H,24,25)/p-1 |
| SMILES | CC1(C)C(CC(Cl)C(F)(F)F)C1C(=O)OCC1=CC=CC(C(=O)[O-])=C1CO |
MNX internals
| InChI (mnx) | InChI=1/C18H20ClF3O5/c1-17(2)12(6-13(19)18(20,21)22)14(17)16(26)27-8-9-4-3-5-10(15(24)25)11(9)7-23/h3-5,12-14,23H,6-8H2,1-2H3,(H,24,25)/t12?,13?,14? |
 |
| SMILES (mnx) | [CH3:1][C:17]1([CH3:2])[CH:12]([CH2:6][CH:13]([C:18]([F:20])([F:21])[F:22])[Cl:19])[CH:14]1[C:16](=[O:26])[O:27][CH2:8][C:9]1=[C:11]([CH2:7][OH:23])[C:10]([C:15](=[O:24])[OH:25])=[CH:5][CH:3]=[CH:4]1 |
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