| Properties | Image |
|---|
| MNX_ID | MNXM1138111 |
 |
| reference | envipathM:...1ad884384f0b |
| formula | C12H11Cl5O6 |
| global charge | 0 |
| mol weight | 428.479 |
| InChIKey | MIZWGLPTZRKYRR-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl5O6/c13-8-10(14)5(4-2(18)1-3(19)6(4)20)7(21)23-9(11(8,15)22)12(10,16)17/h2,4-6,8-9,18,20,22H,1H2 |
| SMILES | O=C1CC(O)C(C2C(=O)OC3C(O)(Cl)C(Cl)C2(Cl)C3(Cl)Cl)C1O |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl5O6/c13-8-10(14)5(4-2(18)1-3(19)6(4)20)7(21)23-9(11(8,15)22)12(10,16)17/h2,4-6,8-9,18,20,22H,1H2/t2?,4?,5?,6?,8?,9?,10?,11? |
 |
| SMILES (mnx) | [CH2:1]1[CH:2]([OH:18])[CH:4]([CH:5]2[C:7](=[O:21])[O:23][CH:9]3[C:11]([Cl:15])([OH:22])[CH:8]([Cl:13])[C:10]2([Cl:14])[C:12]3([Cl:16])[Cl:17])[CH:6]([OH:20])[C:3]1=[O:19] |
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