| Properties | Image |
|---|
| MNX_ID | MNXM1181319 |
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| reference | envipathM:...bd686b5af6b9 |
| formula | C12H11Cl3O4 |
| global charge | 0 |
| mol weight | 325.575 |
| InChIKey | YUGQNSFLNCBWTC-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl3O4/c13-8-2-10(14)4-11(8,15)9-6(17)1-5(7(18)3-16)12(9,10)19/h2,5,9,16,19H,1,3-4H2 |
| SMILES | O=C(CO)C1CC(=O)C2C3(Cl)CC(Cl)(C=C3Cl)C12O |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl3O4/c13-8-2-10(14)4-11(8,15)9-6(17)1-5(7(18)3-16)12(9,10)19/h2,5,9,16,19H,1,3-4H2/t5?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:5]([C:7]([CH2:3][OH:16])=[O:18])[C:12]2([OH:19])[CH:9]([C:6]1=[O:17])[C:11]1([Cl:15])[CH2:4][C:10]2([Cl:14])[CH:2]=[C:8]1[Cl:13] |
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