| Properties | Image |
|---|
| MNX_ID | MNXM1176006 |
 |
| reference | envipathM:...57361a368d81 |
| formula | C12H9Cl3O4 |
| global charge | 0 |
| mol weight | 323.559 |
| InChIKey | LGADTNXSHCZRIO-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H9Cl3O4/c13-8-9(14)11(18)2-10(8,15)7-3-1-4(12(7,11)19)6(17)5(3)16/h3-4,7,18-19H,1-2H2 |
| SMILES | O=C1C(=O)C2CC1C1C3(Cl)CC(O)(C(Cl)=C3Cl)C21O |
MNX internals
| InChI (mnx) | InChI=1/C12H9Cl3O4/c13-8-9(14)11(18)2-10(8,15)7-3-1-4(12(7,11)19)6(17)5(3)16/h3-4,7,18-19H,1-2H2/t3?,4?,7?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]2[C:5](=[O:16])[C:6](=[O:17])[CH:4]1[C:12]1([OH:19])[CH:7]2[C:10]2([Cl:15])[CH2:2][C:11]1([OH:18])[C:9]([Cl:14])=[C:8]2[Cl:13] |
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