| Properties | Image |
|---|
| MNX_ID | MNXM1184071 |
 |
| reference | envipathM:...81bf644cb1f7 |
| formula | C12H8Cl4O5 |
| global charge | 0 |
| mol weight | 374.003 |
| InChIKey | IXWMUBBXCISZSY-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H8Cl4O5/c13-5-2-9(19)11(20)4-1-3(7(17)21-8(4)18)6(11)10(5,14)12(9,15)16/h2-4,6,19-20H,1H2 |
| SMILES | O=C1OC(=O)C2CC1C1C3(Cl)C(Cl)=CC(O)(C21O)C3(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H8Cl4O5/c13-5-2-9(19)11(20)4-1-3(7(17)21-8(4)18)6(11)10(5,14)12(9,15)16/h2-4,6,19-20H,1H2/t3?,4?,6?,9?,10?,11? |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]2[CH:6]3[C:10]4([Cl:14])[C:5]([Cl:13])=[CH:2][C:9]([OH:19])([C:11]3([OH:20])[CH:4]1[C:8](=[O:18])[O:21][C:7]2=[O:17])[C:12]4([Cl:15])[Cl:16] |
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