| Properties | Image |
|---|
| MNX_ID | MNXM1178423 |
 |
| reference | envipathM:...c913ce30202e |
| formula | C12H12Cl5O6 |
| global charge | -1 |
| mol weight | 429.487 |
| InChIKey | KJILMORUBBSKNL-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H13Cl5O6/c13-4-6-9(22)3(18)1-2(5(19)8(20)21)11(9,23)10(15,7(4)14)12(6,16)17/h2-7,18-19,22-23H,1H2,(H,20,21)/p-1 |
| SMILES | O=C([O-])C(O)C1CC(O)C2(O)C3C(Cl)C(Cl)C(Cl)(C3(Cl)Cl)C12O |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl5O6/c13-4-6-9(22)3(18)1-2(5(19)8(20)21)11(9,23)10(15,7(4)14)12(6,16)17/h2-7,18-19,22-23H,1H2,(H,20,21)/t2?,3?,4?,5?,6?,7?,9?,10?,11? |
 |
| SMILES (mnx) | [CH2:1]1[CH:2]([CH:5]([C:8](=[O:20])[OH:21])[OH:19])[C:11]2([OH:23])[C:9]([OH:22])([CH:3]1[OH:18])[CH:6]1[CH:4]([Cl:13])[CH:7]([Cl:14])[C:10]2([Cl:15])[C:12]1([Cl:16])[Cl:17] |
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