| Properties | Image |
|---|
| MNX_ID | MNXM1173372 |
 |
| reference | envipathM:...cdc87429882f |
| formula | C12H14Cl2O5 |
| global charge | 0 |
| mol weight | 309.145 |
| InChIKey | FSECNHMIOQLZQS-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H14Cl2O5/c13-6-1-4-2-9(6,14)12(19)5-3-10(17,11(4,12)18)8(16)7(5)15/h1,4-5,7-8,15-19H,2-3H2 |
| SMILES | OC1C(O)C2(O)CC1C1(O)C3(Cl)CC(C=C3Cl)C21O |
MNX internals
| InChI (mnx) | InChI=1/C12H14Cl2O5/c13-6-1-4-2-9(6,14)12(19)5-3-10(17,11(4,12)18)8(16)7(5)15/h1,4-5,7-8,15-19H,2-3H2/t4?,5?,7?,8?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH:1]1=[C:6]([Cl:13])[C:9]2([Cl:14])[CH2:2][CH:4]1[C:11]1([OH:18])[C:10]3([OH:17])[CH2:3][CH:5]([CH:7]([OH:15])[CH:8]3[OH:16])[C:12]21[OH:19] |
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