| Properties | Image |
|---|
| MNX_ID | MNXM1313818 |
 |
| reference | envipathM:...28c5d0d1e397 |
| formula | C12H11Cl3O4 |
| global charge | 0 |
| mol weight | 325.575 |
| InChIKey | ANVDVPVSIGEYHN-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl3O4/c13-5-6(14)11(17)2-9(5,15)8-10(16)1-3(12(8,11)18)4-7(10)19-4/h3-4,7-8,16-18H,1-2H2 |
| SMILES | OC12CC(C3OC31)C1(O)C2C2(Cl)CC1(O)C(Cl)=C2Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl3O4/c13-5-6(14)11(17)2-9(5,15)8-10(16)1-3(12(8,11)18)4-7(10)19-4/h3-4,7-8,16-18H,1-2H2/t3?,4?,7?,8?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]2[CH:4]3[CH:7]([C:10]1([OH:16])[CH:8]1[C:9]4([Cl:15])[CH2:2][C:11]([OH:17])([C:6]([Cl:14])=[C:5]4[Cl:13])[C:12]21[OH:18])[O:19]3 |
|