| Properties | Image |
|---|
| MNX_ID | MNXM1187717 |
 |
| reference | envipathM:...1691af49c72c |
| formula | C12H12Cl5O6 |
| global charge | -1 |
| mol weight | 429.487 |
| InChIKey | PBKNKBDLQZABIL-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H13Cl5O6/c13-4-2-9(14)11(23)5(10(4,15)12(9,16)17)3(18)1-8(11,22)6(19)7(20)21/h3-6,18-19,22-23H,1-2H2,(H,20,21)/p-1 |
| SMILES | O=C([O-])C(O)C1(O)CC(O)C2C3(Cl)C(Cl)CC(Cl)(C3(Cl)Cl)C21O |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl5O6/c13-4-2-9(14)11(23)5(10(4,15)12(9,16)17)3(18)1-8(11,22)6(19)7(20)21/h3-6,18-19,22-23H,1-2H2,(H,20,21)/t3?,4?,5?,6?,8?,9?,10?,11? |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]([OH:18])[CH:5]2[C:10]3([Cl:15])[CH:4]([Cl:13])[CH2:2][C:9]([Cl:14])([C:11]2([OH:23])[C:8]1([CH:6]([C:7](=[O:20])[OH:21])[OH:19])[OH:22])[C:12]3([Cl:16])[Cl:17] |
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