| Properties | Image |
|---|
| MNX_ID | MNXM1172231 |
 |
| reference | envipathM:...6cbaff8a60e7 |
| formula | C12H8Cl6O7 |
| global charge | 0 |
| mol weight | 476.907 |
| InChIKey | DPPKIKHLSIZXNV-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H8Cl6O7/c13-4-5(14)10(16)11(17,18)8(4,15)7(22)25-12(10,24)9(23)3(20)1-2(19)6(9)21/h3,6,20-21,23-24H,1H2 |
| SMILES | O=C1CC(O)C(O)(C2(O)OC(=O)C3(Cl)C(Cl)=C(Cl)C2(Cl)C3(Cl)Cl)C1O |
MNX internals
| InChI (mnx) | InChI=1/C12H8Cl6O7/c13-4-5(14)10(16)11(17,18)8(4,15)7(22)25-12(10,24)9(23)3(20)1-2(19)6(9)21/h3,6,20-21,23-24H,1H2/t3?,6?,8?,9?,10?,12? |
 |
| SMILES (mnx) | [CH2:1]1[C:2](=[O:19])[CH:6]([OH:21])[C:9]([C:12]2([OH:24])[C:10]3([Cl:16])[C:5]([Cl:14])=[C:4]([Cl:13])[C:8]([Cl:15])([C:7](=[O:22])[O:25]2)[C:11]3([Cl:17])[Cl:18])([OH:23])[CH:3]1[OH:20] |
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