| Properties | Image |
|---|
| MNX_ID | MNXM1195611 |
 |
| reference | envipathM:...dff6d033785d |
| formula | C12H7Cl5O6 |
| global charge | 0 |
| mol weight | 424.447 |
| InChIKey | BKPYJEWWGNEVSS-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H7Cl5O6/c13-3-1-8(14)11(22)6(10(3,15)12(8,16)17)7(20)2-9(11,21)23-5(19)4(7)18/h1,6,20-22H,2H2 |
| SMILES | O=C1OC2(O)CC(O)(C1=O)C1C3(Cl)C(Cl)=CC(Cl)(C3(Cl)Cl)C12O |
MNX internals
| InChI (mnx) | InChI=1/C12H7Cl5O6/c13-3-1-8(14)11(22)6(10(3,15)12(8,16)17)7(20)2-9(11,21)23-5(19)4(7)18/h1,6,20-22H,2H2/t6?,7?,8?,9?,10?,11? |
 |
| SMILES (mnx) | [CH:1]1=[C:3]([Cl:13])[C:10]2([Cl:15])[CH:6]3[C:7]4([OH:20])[CH2:2][C:9]([OH:21])([C:11]3([OH:22])[C:8]1([Cl:14])[C:12]2([Cl:16])[Cl:17])[O:23][C:5](=[O:19])[C:4]4=[O:18] |
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