| Properties | Image |
|---|
| MNX_ID | MNXM1171691 |
 |
| reference | envipathM:...fc32df87a486 |
| formula | C12H9Cl3O4 |
| global charge | 0 |
| mol weight | 323.559 |
| InChIKey | REEGPXWELRJHAT-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H9Cl3O4/c13-8-10(14)1-2-11(8,15)6-5(10)4-3-12(6,18)9(17)19-7(4)16/h1-2,4-6,8,18H,3H2 |
| SMILES | O=C1OC(=O)C2(O)CC1C1C2C2(Cl)C=CC1(Cl)C2Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H9Cl3O4/c13-8-10(14)1-2-11(8,15)6-5(10)4-3-12(6,18)9(17)19-7(4)16/h1-2,4-6,8,18H,3H2/t4?,5?,6?,8?,10?,11?,12? |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:11]2([Cl:15])[CH:6]3[CH:5]([CH:4]4[CH2:3][C:12]3([OH:18])[C:9](=[O:17])[O:19][C:7]4=[O:16])[C:10]1([Cl:14])[CH:8]2[Cl:13] |
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