| Properties | Image |
|---|
| MNX_ID | MNXM1190660 |
 |
| reference | envipathM:...3a47560131ef |
| formula | C12H14Cl2O4 |
| global charge | 0 |
| mol weight | 293.146 |
| InChIKey | IJMUTNVJIAGOFL-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H14Cl2O4/c13-7-3-1-5(8(7)14)12(18)6(3)4-2-11(12,17)10(16)9(4)15/h3-6,9-10,15-18H,1-2H2 |
| SMILES | OC1C2CC(O)(C1O)C1(O)C3CC(C(Cl)=C3Cl)C21 |
MNX internals
| InChI (mnx) | InChI=1/C12H14Cl2O4/c13-7-3-1-5(8(7)14)12(18)6(3)4-2-11(12,17)10(16)9(4)15/h3-6,9-10,15-18H,1-2H2/t3?,4?,5?,6?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]2[CH:6]3[CH:4]4[CH2:2][C:11]([OH:17])([CH:10]([OH:16])[CH:9]4[OH:15])[C:12]3([OH:18])[CH:5]1[C:8]([Cl:14])=[C:7]2[Cl:13] |
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