| Properties | Image |
|---|
| MNX_ID | MNXM1172795 |
 |
| reference | envipathM:...4efe2fe33525 |
| formula | C12H12Cl2O3 |
| global charge | 0 |
| mol weight | 275.131 |
| InChIKey | JVGQTBULNQLHJN-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H12Cl2O3/c13-9-3-1-5(15)12(9,14)8-6(3)4-2-11(8,16)10-7(4)17-10/h3-4,6-10,16H,1-2H2 |
| SMILES | O=C1CC2C3C4CC(O)(C5OC45)C3C1(Cl)C2Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H12Cl2O3/c13-9-3-1-5(15)12(9,14)8-6(3)4-2-11(8,16)10-7(4)17-10/h3-4,6-10,16H,1-2H2/t3?,4?,6?,7?,8?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]2[CH:6]3[CH:4]4[CH2:2][C:11]([OH:16])([CH:8]3[C:12]([Cl:14])([C:5]1=[O:15])[CH:9]2[Cl:13])[CH:10]1[CH:7]4[O:17]1 |
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