| Properties | Image |
|---|
| MNX_ID | MNXM1196001 |
 |
| reference | envipathM:...c449b71dc862 |
| formula | C12H14Cl2O3 |
| global charge | 0 |
| mol weight | 277.147 |
| InChIKey | SZEKWZWQQHIJDF-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H14Cl2O3/c13-5-2-11(15)9-3-1-4(8-7(3)17-8)12(9,16)6(5)10(11)14/h3-10,15-16H,1-2H2 |
| SMILES | OC12CC(Cl)C(C1Cl)C1(O)C3CC(C4OC43)C21 |
MNX internals
| InChI (mnx) | InChI=1/C12H14Cl2O3/c13-5-2-11(15)9-3-1-4(8-7(3)17-8)12(9,16)6(5)10(11)14/h3-10,15-16H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]2[CH:7]3[CH:8]([CH:4]1[C:12]1([OH:16])[CH:6]4[CH:5]([Cl:13])[CH2:2][C:11]([OH:15])([CH:9]21)[CH:10]4[Cl:14])[O:17]3 |
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