| Properties | Image |
|---|
| MNX_ID | MNXM1138760 |
 |
| reference | envipathM:...4022aa5ca763 |
| formula | C12H9Cl5O5 |
| global charge | 0 |
| mol weight | 410.464 |
| InChIKey | GSDSWJBEBBQNFV-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H9Cl5O5/c13-7-5-4(3-1-2-22-9(20)6(3)18)8(19)10(14,11(5,15)16)12(7,17)21/h3-5,7,21H,1-2H2 |
| SMILES | O=C1OCCC(C2C(=O)C3(Cl)C(O)(Cl)C(Cl)C2C3(Cl)Cl)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C12H9Cl5O5/c13-7-5-4(3-1-2-22-9(20)6(3)18)8(19)10(14,11(5,15)16)12(7,17)21/h3-5,7,21H,1-2H2/t3?,4?,5?,7?,10?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][O:22][C:9](=[O:20])[C:6](=[O:18])[CH:3]1[CH:4]1[CH:5]2[CH:7]([Cl:13])[C:12]([Cl:17])([OH:21])[C:10]([Cl:14])([C:8]1=[O:19])[C:11]2([Cl:15])[Cl:16] |
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