| Properties | Image |
|---|
| MNX_ID | MNXM1189826 |
 |
| reference | envipathM:...d32d15098644 |
| formula | C12H9Cl3O4 |
| global charge | 0 |
| mol weight | 323.559 |
| InChIKey | YMZNZDOTLAVPEM-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H9Cl3O4/c13-6-2-5-9(14)10(6,15)12(19)4-1-3(11(5,12)18)7(16)8(4)17/h2-5,9,18-19H,1H2 |
| SMILES | O=C1C(=O)C2CC1C1(O)C3C=C(Cl)C(Cl)(C3Cl)C21O |
MNX internals
| InChI (mnx) | InChI=1/C12H9Cl3O4/c13-6-2-5-9(14)10(6,15)12(19)4-1-3(11(5,12)18)7(16)8(4)17/h2-5,9,18-19H,1H2/t3?,4?,5?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]2[C:7](=[O:16])[C:8](=[O:17])[CH:4]1[C:12]1([OH:19])[C:10]3([Cl:15])[C:6]([Cl:13])=[CH:2][CH:5]([CH:9]3[Cl:14])[C:11]21[OH:18] |
|