| Properties | Image |
|---|
| MNX_ID | MNXM1197929 |
 |
| reference | envipathM:...4ba94b78f885 |
| formula | C12H15Cl3O4 |
| global charge | 0 |
| mol weight | 329.607 |
| InChIKey | CWXWUJOYYYKVFR-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H15Cl3O4/c13-6-4-7(14)8(15)5(6)12(19)3-1-2(11(4,12)18)9(16)10(3)17/h2-10,16-19H,1H2 |
| SMILES | OC1C(O)C2CC1C1(O)C3C(Cl)C(Cl)C(C3Cl)C21O |
MNX internals
| InChI (mnx) | InChI=1/C12H15Cl3O4/c13-6-4-7(14)8(15)5(6)12(19)3-1-2(11(4,12)18)9(16)10(3)17/h2-10,16-19H,1H2/t2?,3?,4?,5?,6?,7?,8?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:2]2[CH:9]([OH:16])[CH:10]([OH:17])[CH:3]1[C:12]1([OH:19])[CH:5]3[CH:6]([Cl:13])[CH:4]([CH:7]([Cl:14])[CH:8]3[Cl:15])[C:11]21[OH:18] |
|