| Properties | Image |
|---|
| MNX_ID | MNXM1189218 |
 |
| reference | envipathM:...b90174c0c171 |
| formula | C12H16Cl2O3 |
| global charge | 0 |
| mol weight | 279.163 |
| InChIKey | ASIHBDDWSMBMOO-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H16Cl2O3/c13-8-5-2-12(17,11(8)14)7-4-1-3(6(5)7)9(15)10(4)16/h3-11,15-17H,1-2H2 |
| SMILES | OC1C(O)C2CC1C1C3CC(O)(C(Cl)C3Cl)C21 |
MNX internals
| InChI (mnx) | InChI=1/C12H16Cl2O3/c13-8-5-2-12(17,11(8)14)7-4-1-3(6(5)7)9(15)10(4)16/h3-11,15-17H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]2[CH:6]3[CH:5]4[CH2:2][C:12]([OH:17])([CH:7]3[CH:4]1[CH:10]([OH:16])[CH:9]2[OH:15])[CH:11]([Cl:14])[CH:8]4[Cl:13] |
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