| Properties | Image |
|---|
| MNX_ID | MNXM1189699 |
 |
| reference | envipathM:...91b9c0ace884 |
| formula | C23H24ClF3O6 |
| global charge | 0 |
| mol weight | 488.886 |
| InChIKey | JGTDBVXKPNJPBK-UHFFFAOYSA-N |
| InChI | InChI=1S/C23H24ClF3O6/c1-11-14(12-5-4-6-13(28)7-12)8-16(29)18(30)15(11)10-33-20(31)19-21(2,3)22(19,32)9-17(24)23(25,26)27/h4-8,17,19,28-30,32H,9-10H2,1-3H3 |
| SMILES | CC1=C(COC(=O)C2C(C)(C)C2(O)CC(Cl)C(F)(F)F)C(O)=C(O)C=C1C1=CC(O)=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C23H24ClF3O6/c1-11-14(12-5-4-6-13(28)7-12)8-16(29)18(30)15(11)10-33-20(31)19-21(2,3)22(19,32)9-17(24)23(25,26)27/h4-8,17,19,28-30,32H,9-10H2,1-3H3/t17?,19?,22? |
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| SMILES (mnx) | [CH3:1][C:11]1=[C:15]([CH2:10][O:33][C:20]([CH:19]2[C:21]([CH3:2])([CH3:3])[C:22]2([CH2:9][CH:17]([C:23]([F:25])([F:26])[F:27])[Cl:24])[OH:32])=[O:31])[C:18]([OH:30])=[C:16]([OH:29])[CH:8]=[C:14]1[C:12]1=[CH:7][C:13]([OH:28])=[CH:6][CH:4]=[CH:5]1 |
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