| Properties | Image |
|---|
| MNX_ID | MNXM1179153 |
 |
| reference | envipathM:...01e849c47f2b |
| formula | C12H7Cl6O7 |
| global charge | -1 |
| mol weight | 475.899 |
| InChIKey | KCULPAAHIZPRRZ-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H8Cl6O7/c13-3-4(14)11(16)2-1(10(3,15)12(11,17)18)7(22)25-8(23)9(2,24)5(19)6(20)21/h1-2,5,8,19,23-24H,(H,20,21)/p-1 |
| SMILES | O=C([O-])C(O)C1(O)C(O)OC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H8Cl6O7/c13-3-4(14)11(16)2-1(10(3,15)12(11,17)18)7(22)25-8(23)9(2,24)5(19)6(20)21/h1-2,5,8,19,23-24H,(H,20,21)/t1?,2?,5?,8?,9?,10?,11? |
 |
| SMILES (mnx) | [CH:1]12[CH:2]([C:9]([CH:5]([C:6](=[O:20])[OH:21])[OH:19])([OH:24])[CH:8]([OH:23])[O:25][C:7]1=[O:22])[C:11]1([Cl:16])[C:4]([Cl:14])=[C:3]([Cl:13])[C:10]2([Cl:15])[C:12]1([Cl:17])[Cl:18] |
|