| Properties | Image |
|---|
| MNX_ID | MNXM1196586 |
 |
| reference | envipathM:...1ad5e007b60b |
| formula | C12H13Cl3O3 |
| global charge | 0 |
| mol weight | 311.592 |
| InChIKey | QYLTXBVFBLGXQN-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H13Cl3O3/c13-4-1-9(14)2-10(4,15)6-5(9)11(16)3-12(6,17)8-7(11)18-8/h4-8,16-17H,1-3H2 |
| SMILES | OC12CC(O)(C3OC31)C1C2C2(Cl)CC(Cl)C1(Cl)C2 |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl3O3/c13-4-1-9(14)2-10(4,15)6-5(9)11(16)3-12(6,17)8-7(11)18-8/h4-8,16-17H,1-3H2/t4?,5?,6?,7?,8?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:4]([Cl:13])[C:10]2([Cl:15])[CH2:2][C:9]1([Cl:14])[CH:5]1[CH:6]2[C:12]2([OH:17])[CH2:3][C:11]1([OH:16])[CH:7]1[CH:8]2[O:18]1 |
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