| Properties | Image |
|---|
| MNX_ID | MNXM1174552 |
 |
| reference | envipathM:...8f2cf83b78b0 |
| formula | C23H20ClF3O6 |
| global charge | 0 |
| mol weight | 484.854 |
| InChIKey | ZKHCDRLWVDFLJS-UWVJOHFNSA-N |
| InChI | InChI=1S/C23H20ClF3O6/c1-22(11-29)16(8-19(24)23(25,26)27)20(22)21(32)33-10-13-3-2-4-14(15(13)9-28)12-5-6-17(30)18(31)7-12/h2-9,16,20,29-31H,10-11H2,1H3/b19-8- |
| SMILES | CC1(CO)C(/C=C(\Cl)C(F)(F)F)C1C(=O)OCC1=CC=CC(C2=CC=C(O)C(O)=C2)=C1C=O |
MNX internals
| InChI (mnx) | InChI=1/C23H20ClF3O6/c1-22(11-29)16(8-19(24)23(25,26)27)20(22)21(32)33-10-13-3-2-4-14(15(13)9-28)12-5-6-17(30)18(31)7-12/h2-9,16,20,29-31H,10-11H2,1H3/b19-8-/t16?,20?,22? |
 |
| SMILES (mnx) | [CH3:1][C:22]1([CH2:11][OH:29])[CH:16](/[CH:8]=[C:19](/[C:23]([F:25])([F:26])[F:27])[Cl:24])[CH:20]1[C:21](=[O:32])[O:33][CH2:10][C:13]1=[C:15]([CH:9]=[O:28])[C:14]([C:12]2=[CH:7][C:18]([OH:31])=[C:17]([OH:30])[CH:6]=[CH:5]2)=[CH:4][CH:2]=[CH:3]1 |
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