| Properties | Image |
|---|
| MNX_ID | MNXM1187094 |
 |
| reference | envipathM:...770ea4978a46 |
| formula | C17H15ClF3O7 |
| global charge | -1 |
| mol weight | 423.747 |
| InChIKey | BOHYJHRUXDLWQI-WDZFZDKYSA-M |
| InChI | InChI=1S/C17H16ClF3O7/c1-15(2)10(6-11(18)17(19,20)21)16(15,27)14(26)28-12(13(24)25)7-3-4-8(22)9(23)5-7/h3-6,10,12,22-23,27H,1-2H3,(H,24,25)/p-1/b11-6- |
| SMILES | CC1(C)C(/C=C(\Cl)C(F)(F)F)C1(O)C(=O)OC(C(=O)[O-])C1=CC=C(O)C(O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C17H16ClF3O7/c1-15(2)10(6-11(18)17(19,20)21)16(15,27)14(26)28-12(13(24)25)7-3-4-8(22)9(23)5-7/h3-6,10,12,22-23,27H,1-2H3,(H,24,25)/b11-6-/t10?,12?,16? |
 |
| SMILES (mnx) | [CH3:1][C:15]1([CH3:2])[CH:10](/[CH:6]=[C:11](/[C:17]([F:19])([F:20])[F:21])[Cl:18])[C:16]1([C:14](=[O:26])[O:28][CH:12]([C:7]1=[CH:5][C:9]([OH:23])=[C:8]([OH:22])[CH:4]=[CH:3]1)[C:13](=[O:24])[OH:25])[OH:27] |
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