| Properties | Image |
|---|
| MNX_ID | MNXM1198052 |
 |
| reference | envipathM:...e4c39cb67077 |
| formula | C22H21ClF3O7 |
| global charge | -1 |
| mol weight | 489.85 |
| InChIKey | FGUVPZPKKWZWDS-AIFFOBMGSA-M |
| InChI | InChI=1S/C22H22ClF3O7/c1-21(2)14(8-16(23)22(24,25)26)17(21)20(32)33-10-13(18(29)19(30)31)12(9-27)7-11-5-3-4-6-15(11)28/h3-8,13-14,17,27-28H,9-10H2,1-2H3,(H,30,31)/p-1/b12-7+,16-8? |
| SMILES | CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OCC(C(=O)C(=O)[O-])/C(=C/C1=C(O)C=CC=C1)CO |
MNX internals
| InChI (mnx) | InChI=1/C22H22ClF3O7/c1-21(2)14(8-16(23)22(24,25)26)17(21)20(32)33-10-13(18(29)19(30)31)12(9-27)7-11-5-3-4-6-15(11)28/h3-8,13-14,17,27-28H,9-10H2,1-2H3,(H,30,31)/b12-7+,16-8?/t13?,14?,17? |
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| SMILES (mnx) | [CH3:1][C:21]1([CH3:2])[CH:14]([CH:8]=[C:16]([C:22]([F:24])([F:25])[F:26])[Cl:23])[CH:17]1[C:20](=[O:32])[O:33][CH2:10][CH:13](/[C:12](=[CH:7]/[C:11]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:15]1[OH:28])[CH2:9][OH:27])[C:18]([C:19]([OH:30])=[O:31])=[O:29] |
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