| Properties | Image |
|---|
| MNX_ID | MNXM1170221 |
 |
| reference | envipathM:...ae401ae07821 |
| formula | C12H13Cl3O4 |
| global charge | 0 |
| mol weight | 327.591 |
| InChIKey | RVDUIJXDRXWIGV-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H13Cl3O4/c13-9-4-7(18)10(14)11(9,15)8-2-1-3(12(4,8)19)6(17)5(2)16/h2-4,6-10,17-19H,1H2 |
| SMILES | O=C1C(O)C2CC1C1C2(O)C2C(O)C(Cl)C1(Cl)C2Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl3O4/c13-9-4-7(18)10(14)11(9,15)8-2-1-3(12(4,8)19)6(17)5(2)16/h2-4,6-10,17-19H,1H2/t2?,3?,4?,6?,7?,8?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:2]2[C:5](=[O:16])[CH:6]([OH:17])[CH:3]1[C:12]1([OH:19])[CH:4]3[CH:7]([OH:18])[CH:10]([Cl:14])[C:11]([Cl:15])([CH:8]21)[CH:9]3[Cl:13] |
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