| Properties | Image |
|---|
| MNX_ID | MNXM1179759 |
 |
| reference | envipathM:...7afb8df367f1 |
| formula | C12H12Cl5O6 |
| global charge | -1 |
| mol weight | 429.487 |
| InChIKey | WWEYZEKFCKUSAL-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H13Cl5O6/c13-3-6-10(23)2(9(21)22)4(18)1(8(19)20)5(10)11(15,7(3)14)12(6,16)17/h1-8,18-20,23H,(H,21,22)/p-1 |
| SMILES | O=C([O-])C1C(O)C(C(O)O)C2C1(O)C1C(Cl)C(Cl)C2(Cl)C1(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl5O6/c13-3-6-10(23)2(9(21)22)4(18)1(8(19)20)5(10)11(15,7(3)14)12(6,16)17/h1-8,18-20,23H,(H,21,22)/t1?,2?,3?,4?,5?,6?,7?,10?,11? |
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| SMILES (mnx) | [CH:1]1([CH:8]([OH:19])[OH:20])[CH:4]([OH:18])[CH:2]([C:9](=[O:21])[OH:22])[C:10]2([OH:23])[CH:5]1[C:11]1([Cl:15])[CH:7]([Cl:14])[CH:3]([Cl:13])[CH:6]2[C:12]1([Cl:16])[Cl:17] |
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