| Properties | Image |
|---|
| MNX_ID | MNXM1182949 |
 |
| reference | envipathM:...dd9014bf979b |
| formula | C12H11Cl5O4 |
| global charge | 0 |
| mol weight | 396.481 |
| InChIKey | XGTWBUONQHTGBN-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl5O4/c13-5-3-10(14)8(19)6(11(5,15)12(10,16)17)4-1-2-21-9(20)7(4)18/h4-7,18H,1-3H2 |
| SMILES | O=C1OCCC(C2C(=O)C3(Cl)CC(Cl)C2(Cl)C3(Cl)Cl)C1O |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl5O4/c13-5-3-10(14)8(19)6(11(5,15)12(10,16)17)4-1-2-21-9(20)7(4)18/h4-7,18H,1-3H2/t4?,5?,6?,7?,10?,11? |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][O:21][C:9](=[O:20])[CH:7]([OH:18])[CH:4]1[CH:6]1[C:8](=[O:19])[C:10]2([Cl:14])[CH2:3][CH:5]([Cl:13])[C:11]1([Cl:15])[C:12]2([Cl:16])[Cl:17] |
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