| Properties | Image |
|---|
| MNX_ID | MNXM1193746 |
 |
| reference | envipathM:...c828cf65f8ae |
| formula | C12H13Cl3O4 |
| global charge | 0 |
| mol weight | 327.591 |
| InChIKey | UROPNGBKZCVLGD-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H13Cl3O4/c13-6-2-10(14)3-11(6,15)7-4-1-5(12(7,10)18)9(17)19-8(4)16/h4-8,16,18H,1-3H2 |
| SMILES | O=C1OC(O)C2CC1C1(O)C2C2(Cl)CC1(Cl)CC2Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl3O4/c13-6-2-10(14)3-11(6,15)7-4-1-5(12(7,10)18)9(17)19-8(4)16/h4-8,16,18H,1-3H2/t4?,5?,6?,7?,8?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:4]2[CH:7]3[C:11]4([Cl:15])[CH2:3][C:10]([Cl:14])([CH2:2][CH:6]4[Cl:13])[C:12]3([OH:18])[CH:5]1[C:9](=[O:17])[O:19][CH:8]2[OH:16] |
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