| Properties | Image |
|---|
| MNX_ID | MNXM1172481 |
 |
| reference | envipathM:...55e48134d97b |
| formula | C12H12Cl2O4 |
| global charge | 0 |
| mol weight | 291.13 |
| InChIKey | WPVBPCFPELWMPS-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H12Cl2O4/c13-6-1-4-2-10(6,14)9-11(17)3-5(12(4,9)18)7(15)8(11)16/h1,4-5,7,9,15,17-18H,2-3H2 |
| SMILES | O=C1C(O)C2CC1(O)C1C3(Cl)CC(C=C3Cl)C21O |
MNX internals
| InChI (mnx) | InChI=1/C12H12Cl2O4/c13-6-1-4-2-10(6,14)9-11(17)3-5(12(4,9)18)7(15)8(11)16/h1,4-5,7,9,15,17-18H,2-3H2/t4?,5?,7?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH:1]1=[C:6]([Cl:13])[C:10]2([Cl:14])[CH2:2][CH:4]1[C:12]1([OH:18])[CH:5]3[CH2:3][C:11]([OH:17])([C:8](=[O:16])[CH:7]3[OH:15])[CH:9]21 |
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