| Properties | Image |
|---|
| MNX_ID | MNXM1179335 |
 |
| reference | envipathM:...fdf0f510651a |
| formula | C12H9Cl3O4 |
| global charge | 0 |
| mol weight | 323.559 |
| InChIKey | POAHSDVWCCFCOS-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H9Cl3O4/c13-3-1-11(15)7-6(5(3)8(11)14)4-2-12(7,18)9(16)10(17)19-4/h1,4-8,18H,2H2 |
| SMILES | O=C1OC2CC(O)(C1=O)C1C2C2C(Cl)=CC1(Cl)C2Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H9Cl3O4/c13-3-1-11(15)7-6(5(3)8(11)14)4-2-12(7,18)9(16)10(17)19-4/h1,4-8,18H,2H2/t4?,5?,6?,7?,8?,11?,12? |
 |
| SMILES (mnx) | [CH:1]1=[C:3]([Cl:13])[CH:5]2[CH:6]3[CH:4]4[CH2:2][C:12]([OH:18])([CH:7]3[C:11]1([Cl:15])[CH:8]2[Cl:14])[C:9](=[O:16])[C:10](=[O:17])[O:19]4 |
|