| Properties | Image |
|---|
| MNX_ID | MNXM1173356 |
 |
| reference | envipathM:...27d118390a6b |
| formula | C12H11Cl3O5 |
| global charge | 0 |
| mol weight | 341.574 |
| InChIKey | BSADUVLWWPPVAW-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl3O5/c13-5-4-3-2-1-11(18,10(17)20-9(2)16)6(3)12(19,7(4)14)8(5)15/h2-4,6-7,9,16,18-19H,1H2 |
| SMILES | O=C1OC(O)C2CC1(O)C1C2C2C(Cl)=C(Cl)C1(O)C2Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl3O5/c13-5-4-3-2-1-11(18,10(17)20-9(2)16)6(3)12(19,7(4)14)8(5)15/h2-4,6-7,9,16,18-19H,1H2/t2?,3?,4?,6?,7?,9?,11?,12? |
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| SMILES (mnx) | [CH2:1]1[CH:2]2[CH:3]3[CH:4]4[C:5]([Cl:13])=[C:8]([Cl:15])[C:12]([OH:19])([CH:6]3[C:11]1([OH:18])[C:10](=[O:17])[O:20][CH:9]2[OH:16])[CH:7]4[Cl:14] |
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