| Properties | Image |
|---|
| MNX_ID | MNXM1189343 |
 |
| reference | envipathM:...a3a5c20e0a56 |
| formula | C12H11Cl3O4 |
| global charge | 0 |
| mol weight | 325.575 |
| InChIKey | DEKCZJNCBHFDEE-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl3O4/c13-11(14)4-1-5(16)19-12(11,15)8-6(4)3-2-10(8,17)9-7(3)18-9/h3-4,6-9,17H,1-2H2 |
| SMILES | O=C1CC2C3C4CC(O)(C5OC45)C3C(Cl)(O1)C2(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl3O4/c13-11(14)4-1-5(16)19-12(11,15)8-6(4)3-2-10(8,17)9-7(3)18-9/h3-4,6-9,17H,1-2H2/t3?,4?,6?,7?,8?,9?,10?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:4]2[CH:6]3[CH:3]4[CH2:2][C:10]([OH:17])([CH:8]3[C:12]([Cl:15])([C:11]2([Cl:13])[Cl:14])[O:19][C:5]1=[O:16])[CH:9]1[CH:7]4[O:18]1 |
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