| Properties | Image |
|---|
| MNX_ID | MNXM1188114 |
 |
| reference | envipathM:...966ea335cc04 |
| formula | C12H11Cl3O3 |
| global charge | 0 |
| mol weight | 309.576 |
| InChIKey | CYFLPDQWEDXWPJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl3O3/c13-11-2-5(16)8(12(11,14)15)6-3-1-4(7(6)11)10(18)9(3)17/h3-8,16H,1-2H2 |
| SMILES | O=C1C(=O)C2CC1C1C3C(O)CC(Cl)(C21)C3(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl3O3/c13-11-2-5(16)8(12(11,14)15)6-3-1-4(7(6)11)10(18)9(3)17/h3-8,16H,1-2H2/t3?,4?,5?,6?,7?,8?,11? |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]2[CH:6]3[CH:7]([CH:4]1[C:10](=[O:18])[C:9]2=[O:17])[C:11]1([Cl:13])[CH2:2][CH:5]([OH:16])[CH:8]3[C:12]1([Cl:14])[Cl:15] |
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