| Properties | Image |
|---|
| MNX_ID | MNXM1193952 |
 |
| reference | envipathM:...a194de638564 |
| formula | C12H13Cl3O5 |
| global charge | 0 |
| mol weight | 343.59 |
| InChIKey | NBDIYFURXJZNTR-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H13Cl3O5/c13-3-4(16)8(14)1-10(3,15)12(19)7(8)9(17)2-11(12,18)6-5(9)20-6/h3-7,16-19H,1-2H2 |
| SMILES | OC1C(Cl)C2(Cl)CC1(Cl)C1C3(O)CC(O)(C4OC43)C12O |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl3O5/c13-3-4(16)8(14)1-10(3,15)12(19)7(8)9(17)2-11(12,18)6-5(9)20-6/h3-7,16-19H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[C:8]2([Cl:14])[CH:4]([OH:16])[CH:3]([Cl:13])[C:10]1([Cl:15])[C:12]1([OH:19])[CH:7]2[C:9]2([OH:17])[CH2:2][C:11]1([OH:18])[CH:6]1[CH:5]2[O:20]1 |
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