| Properties | Image |
|---|
| MNX_ID | MNXM1177861 |
 |
| reference | envipathM:...2f645fee3d27 |
| formula | C12H13Cl3O3 |
| global charge | 0 |
| mol weight | 311.592 |
| InChIKey | LVWKMFFUJHVKQC-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H13Cl3O3/c13-10-11(14)2-5(16)12(10,15)7-4-1-3(6(7)11)8(17)9(4)18/h3-7,9-10,16,18H,1-2H2 |
| SMILES | O=C1C(O)C2CC1C1C2C2(Cl)C(O)CC1(Cl)C2Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl3O3/c13-10-11(14)2-5(16)12(10,15)7-4-1-3(6(7)11)8(17)9(4)18/h3-7,9-10,16,18H,1-2H2/t3?,4?,5?,6?,7?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]2[CH:6]3[CH:7]([CH:4]1[CH:9]([OH:18])[C:8]2=[O:17])[C:12]1([Cl:15])[CH:5]([OH:16])[CH2:2][C:11]3([Cl:14])[CH:10]1[Cl:13] |
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