| Properties | Image |
|---|
| MNX_ID | MNXM1173304 |
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| reference | envipathM:...456bb0d53d4a |
| formula | C22H21ClF3O6 |
| global charge | -1 |
| mol weight | 473.851 |
| InChIKey | ZKSMFLCTLKEQLK-XGOVTQOESA-M |
| InChI | InChI=1S/C22H22ClF3O6/c1-11(7-12-5-4-6-13(27)8-12)14(18(28)19(29)30)10-32-20(31)17-15(21(17,2)3)9-16(23)22(24,25)26/h4-9,14-15,17,27H,10H2,1-3H3,(H,29,30)/p-1/b11-7+,16-9? |
| SMILES | C/C(=C\C1=CC=CC(O)=C1)C(COC(=O)C1C(C=C(Cl)C(F)(F)F)C1(C)C)C(=O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C22H22ClF3O6/c1-11(7-12-5-4-6-13(27)8-12)14(18(28)19(29)30)10-32-20(31)17-15(21(17,2)3)9-16(23)22(24,25)26/h4-9,14-15,17,27H,10H2,1-3H3,(H,29,30)/b11-7+,16-9?/t14?,15?,17? |
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| SMILES (mnx) | [CH3:1]/[C:11](=[CH:7]\[C:12]1=[CH:8][C:13]([OH:27])=[CH:6][CH:4]=[CH:5]1)[CH:14]([CH2:10][O:32][C:20]([CH:17]1[CH:15]([CH:9]=[C:16]([C:22]([F:24])([F:25])[F:26])[Cl:23])[C:21]1([CH3:2])[CH3:3])=[O:31])[C:18]([C:19]([OH:29])=[O:30])=[O:28] |
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