| Properties | Image |
|---|
| MNX_ID | MNXM1190024 |
 |
| reference | envipathM:...bf0b3a679028 |
| formula | C12H9Cl3O4 |
| global charge | 0 |
| mol weight | 323.559 |
| InChIKey | OTNGNTQHFJKWFP-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H9Cl3O4/c13-7-4-3-2-1-12(18,11(17)19-10(2)16)6(3)5(7)9(15)8(4)14/h2-7,18H,1H2 |
| SMILES | O=C1OC(=O)C2(O)CC1C1C3C(Cl)=C(Cl)C(C3Cl)C12 |
MNX internals
| InChI (mnx) | InChI=1/C12H9Cl3O4/c13-7-4-3-2-1-12(18,11(17)19-10(2)16)6(3)5(7)9(15)8(4)14/h2-7,18H,1H2/t2?,3?,4?,5?,6?,7?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:2]2[CH:3]3[CH:4]4[CH:7]([Cl:13])[CH:5]([CH:6]3[C:12]1([OH:18])[C:11](=[O:17])[O:19][C:10]2=[O:16])[C:9]([Cl:15])=[C:8]4[Cl:14] |
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