| Properties | Image |
|---|
| MNX_ID | MNXM1185508 |
 |
| reference | envipathM:...efb4c1ae1be9 |
| formula | C12H13Cl3O3 |
| global charge | 0 |
| mol weight | 311.592 |
| InChIKey | ULORQDWOXAOJFP-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H13Cl3O3/c13-8-6-5(3-1-2-4(16)11(3)17)12(18)7(8)10(15)9(6)14/h3,5-11,17H,1-2H2 |
| SMILES | O=C1CCC(C2C(=O)C3C(Cl)C(Cl)C2C3Cl)C1O |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl3O3/c13-8-6-5(3-1-2-4(16)11(3)17)12(18)7(8)10(15)9(6)14/h3,5-11,17H,1-2H2/t3?,5?,6?,7?,8?,9?,10?,11? |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][C:4](=[O:16])[CH:11]([OH:17])[CH:3]1[CH:5]1[CH:6]2[CH:8]([Cl:13])[CH:7]([CH:10]([Cl:15])[CH:9]2[Cl:14])[C:12]1=[O:18] |
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