| Properties | Image |
|---|
| MNX_ID | MNXM1179913 |
 |
| reference | envipathM:...3f0b0dc53437 |
| formula | C12H14Cl2O5 |
| global charge | 0 |
| mol weight | 309.145 |
| InChIKey | AGKDAUDLXNWCMN-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H14Cl2O5/c13-6-3-9(14)1-4(6)11(18)5-2-10(17,12(9,11)19)8(16)7(5)15/h3-5,7-8,15-19H,1-2H2 |
| SMILES | OC1C(O)C2(O)CC1C1(O)C3CC(Cl)(C=C3Cl)C21O |
MNX internals
| InChI (mnx) | InChI=1/C12H14Cl2O5/c13-6-3-9(14)1-4(6)11(18)5-2-10(17,12(9,11)19)8(16)7(5)15/h3-5,7-8,15-19H,1-2H2/t4?,5?,7?,8?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:4]2[C:6]([Cl:13])=[CH:3][C:9]1([Cl:14])[C:12]1([OH:19])[C:10]3([OH:17])[CH2:2][CH:5]([CH:7]([OH:15])[CH:8]3[OH:16])[C:11]21[OH:18] |
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