| Properties | Image |
|---|
| MNX_ID | MNXM1179656 |
 |
| reference | envipathM:...49b9b32fa6d5 |
| formula | C12H8Cl5O6 |
| global charge | -1 |
| mol weight | 425.455 |
| InChIKey | AKLRWIDPYQMCGS-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H9Cl5O6/c13-3-1-9(14)7-8(22,2-18)5(19)4(6(20)21)10(7,23)11(3,15)12(9,16)17/h1-2,4-5,7,19,22-23H,(H,20,21)/p-1 |
| SMILES | O=CC1(O)C(O)C(C(=O)[O-])C2(O)C1C1(Cl)C=C(Cl)C2(Cl)C1(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H9Cl5O6/c13-3-1-9(14)7-8(22,2-18)5(19)4(6(20)21)10(7,23)11(3,15)12(9,16)17/h1-2,4-5,7,19,22-23H,(H,20,21)/t4?,5?,7?,8?,9?,10?,11? |
 |
| SMILES (mnx) | [CH:1]1=[C:3]([Cl:13])[C:11]2([Cl:15])[C:10]3([OH:23])[CH:4]([C:6](=[O:20])[OH:21])[CH:5]([OH:19])[C:8]([CH:2]=[O:18])([OH:22])[CH:7]3[C:9]1([Cl:14])[C:12]2([Cl:16])[Cl:17] |
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