| Properties | Image |
|---|
| MNX_ID | MNXM1190833 |
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| reference | envipathM:...be92cd7ba13f |
| formula | C23H22ClF3O7 |
| global charge | -2 |
| mol weight | 502.869 |
| InChIKey | DYQMFBPUGMLQRC-LJZDZPLASA-L |
| InChI | InChI=1S/C23H24ClF3O7/c1-11-12(5-4-6-14(11)13(8-18(29)30)7-16(28)20(31)32)10-34-21(33)19-15(22(19,2)3)9-17(24)23(25,26)27/h4-6,8-9,15-16,19,28H,7,10H2,1-3H3,(H,29,30)(H,31,32)/p-2/b13-8+,17-9? |
| SMILES | CC1=C(/C(=C/C(=O)[O-])CC(O)C(=O)[O-])C=CC=C1COC(=O)C1C(C=C(Cl)C(F)(F)F)C1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C23H24ClF3O7/c1-11-12(5-4-6-14(11)13(8-18(29)30)7-16(28)20(31)32)10-34-21(33)19-15(22(19,2)3)9-17(24)23(25,26)27/h4-6,8-9,15-16,19,28H,7,10H2,1-3H3,(H,29,30)(H,31,32)/b13-8+,17-9?/t15?,16?,19? |
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| SMILES (mnx) | [CH3:1][C:11]1=[C:12]([CH2:10][O:34][C:21]([CH:19]2[CH:15]([CH:9]=[C:17]([C:23]([F:25])([F:26])[F:27])[Cl:24])[C:22]2([CH3:2])[CH3:3])=[O:33])[CH:5]=[CH:4][CH:6]=[C:14]1/[C:13]([CH2:7][CH:16]([C:20](=[O:31])[OH:32])[OH:28])=[CH:8]/[C:18](=[O:29])[OH:30] |
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