| Properties | Image |
|---|
| MNX_ID | MNXM1197843 |
 |
| reference | envipathM:...6fe43ba69bf1 |
| formula | C12H11Cl3O5 |
| global charge | 0 |
| mol weight | 341.574 |
| InChIKey | NOXANQXRFZNJBR-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl3O5/c13-4-2-9(15)7(14)5(4)11(19)3-1-10(18,12(9,11)20)8(17)6(3)16/h2-3,5,7-8,17-20H,1H2 |
| SMILES | O=C1C(O)C2(O)CC1C1(O)C3C(Cl)=CC(Cl)(C3Cl)C21O |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl3O5/c13-4-2-9(15)7(14)5(4)11(19)3-1-10(18,12(9,11)20)8(17)6(3)16/h2-3,5,7-8,17-20H,1H2/t3?,5?,7?,8?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]2[C:6](=[O:16])[CH:8]([OH:17])[C:10]1([OH:18])[C:12]1([OH:20])[C:9]3([Cl:15])[CH:2]=[C:4]([Cl:13])[CH:5]([CH:7]3[Cl:14])[C:11]21[OH:19] |
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