| Properties | Image |
|---|
| MNX_ID | MNXM1194046 |
 |
| reference | envipathM:...ad6d790e4474 |
| formula | C12H13Cl3O4 |
| global charge | 0 |
| mol weight | 327.591 |
| InChIKey | IAIIKCRJZINHBJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H13Cl3O4/c13-6-7(14)11(17)2-9(6,15)5-3-1-10(16,12(5,11)18)8-4(3)19-8/h3-8,16-18H,1-2H2 |
| SMILES | OC12CC(Cl)(C(Cl)C1Cl)C1C3CC(O)(C4OC34)C12O |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl3O4/c13-6-7(14)11(17)2-9(6,15)5-3-1-10(16,12(5,11)18)8-4(3)19-8/h3-8,16-18H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]2[CH:4]3[CH:8]([C:10]1([OH:16])[C:12]1([OH:18])[CH:5]2[C:9]2([Cl:15])[CH2:2][C:11]1([OH:17])[CH:7]([Cl:14])[CH:6]2[Cl:13])[O:19]3 |
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