| Properties | Image |
|---|
| MNX_ID | MNXM1190071 |
 |
| reference | envipathM:...145e8ce785c2 |
| formula | C12H11Cl3O4 |
| global charge | 0 |
| mol weight | 325.575 |
| InChIKey | XXKDIPDAPISKMU-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl3O4/c13-4-3-6(14)12(18,7(4)15)9-10(16)1-2(11(3,9)17)5-8(10)19-5/h2-3,5-6,8-9,16-18H,1H2 |
| SMILES | OC12CC(C3OC31)C1(O)C3C(Cl)=C(Cl)C(O)(C3Cl)C21 |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl3O4/c13-4-3-6(14)12(18,7(4)15)9-10(16)1-2(11(3,9)17)5-8(10)19-5/h2-3,5-6,8-9,16-18H,1H2/t2?,3?,5?,6?,8?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:2]2[CH:5]3[CH:8]([C:10]1([OH:16])[CH:9]1[C:11]2([OH:17])[CH:3]2[C:4]([Cl:13])=[C:7]([Cl:15])[C:12]1([OH:18])[CH:6]2[Cl:14])[O:19]3 |
|