| Properties | Image |
|---|
| MNX_ID | MNXM1196951 |
 |
| reference | envipathM:...26ecb1249d39 |
| formula | C12H9Cl3O4 |
| global charge | 0 |
| mol weight | 323.559 |
| InChIKey | FCOAWSDDTKEIPC-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H9Cl3O4/c13-5-2-10(18)8-3-1-4(7(17)6(3)16)12(8,19)11(5,15)9(10)14/h2-4,8-9,18-19H,1H2 |
| SMILES | O=C1C(=O)C2CC1C1C3(O)C=C(Cl)C(Cl)(C3Cl)C21O |
MNX internals
| InChI (mnx) | InChI=1/C12H9Cl3O4/c13-5-2-10(18)8-3-1-4(7(17)6(3)16)12(8,19)11(5,15)9(10)14/h2-4,8-9,18-19H,1H2/t3?,4?,8?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]2[C:6](=[O:16])[C:7](=[O:17])[CH:4]1[C:12]1([OH:19])[CH:8]2[C:10]2([OH:18])[CH:2]=[C:5]([Cl:13])[C:11]1([Cl:15])[CH:9]2[Cl:14] |
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