| Properties | Image |
|---|
| MNX_ID | MNXM1138327 |
 |
| reference | envipathM:...682a156b2e2f |
| formula | C12H15Cl3O5 |
| global charge | 0 |
| mol weight | 345.606 |
| InChIKey | MWSDMIONYLSQSW-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H15Cl3O5/c13-4-2-9(18)6-3-1-10(19,8(17)5(3)16)11(6,20)7(4)12(9,14)15/h3-8,16-20H,1-2H2 |
| SMILES | OC1C2CC(O)(C1O)C1(O)C3C(Cl)CC(O)(C21)C3(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H15Cl3O5/c13-4-2-9(18)6-3-1-10(19,8(17)5(3)16)11(6,20)7(4)12(9,14)15/h3-8,16-20H,1-2H2/t3?,4?,5?,6?,7?,8?,9?,10?,11? |
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| SMILES (mnx) | [CH2:1]1[CH:3]2[CH:5]([OH:16])[CH:8]([OH:17])[C:10]1([OH:19])[C:11]1([OH:20])[CH:6]2[C:9]2([OH:18])[CH2:2][CH:4]([Cl:13])[CH:7]1[C:12]2([Cl:14])[Cl:15] |
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