| Properties | Image |
|---|
| MNX_ID | MNXM1194941 |
 |
| reference | envipathM:...e153eba01577 |
| formula | C12H11Cl4O6 |
| global charge | -1 |
| mol weight | 393.026 |
| InChIKey | XLNDRTCHCUTMBP-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H12Cl4O6/c13-5-2-4-9(21)6(17)1-3(7(18)8(19)20)11(9,22)10(5,14)12(4,15)16/h2-4,6-7,17-18,21-22H,1H2,(H,19,20)/p-1 |
| SMILES | O=C([O-])C(O)C1CC(O)C2(O)C3C=C(Cl)C(Cl)(C3(Cl)Cl)C12O |
MNX internals
| InChI (mnx) | InChI=1/C12H12Cl4O6/c13-5-2-4-9(21)6(17)1-3(7(18)8(19)20)11(9,22)10(5,14)12(4,15)16/h2-4,6-7,17-18,21-22H,1H2,(H,19,20)/t3?,4?,6?,7?,9?,10?,11? |
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| SMILES (mnx) | [CH2:1]1[CH:3]([CH:7]([C:8](=[O:19])[OH:20])[OH:18])[C:11]2([OH:22])[C:9]([OH:21])([CH:4]3[CH:2]=[C:5]([Cl:13])[C:10]2([Cl:14])[C:12]3([Cl:15])[Cl:16])[CH:6]1[OH:17] |
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