| Properties | Image |
|---|
| MNX_ID | MNXM1181183 |
 |
| reference | envipathM:...6d88441b022c |
| formula | C12H11Cl3O4 |
| global charge | 0 |
| mol weight | 325.575 |
| InChIKey | CINRANLCRYBMLL-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl3O4/c13-6-2-5-7-3-1-4(10(17)19-9(3)16)8(7)11(6,18)12(5,14)15/h2-5,7-8,10,17-18H,1H2 |
| SMILES | O=C1OC(O)C2CC1C1C3C=C(Cl)C(O)(C21)C3(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl3O4/c13-6-2-5-7-3-1-4(10(17)19-9(3)16)8(7)11(6,18)12(5,14)15/h2-5,7-8,10,17-18H,1H2/t3?,4?,5?,7?,8?,10?,11? |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]2[CH:7]3[CH:5]4[CH:2]=[C:6]([Cl:13])[C:11]([OH:18])([CH:8]3[CH:4]1[CH:10]([OH:17])[O:19][C:9]2=[O:16])[C:12]4([Cl:14])[Cl:15] |
|