| Properties | Image |
|---|
| MNX_ID | MNXM1186289 |
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| reference | envipathM:...e4be7f24fc89 |
| formula | C12H11Cl3O5 |
| global charge | 0 |
| mol weight | 341.574 |
| InChIKey | OGFMGLUTERHINH-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl3O5/c13-9-1-2-10(19,12(9,14)15)11(20)4-3-8(18,7(9)11)6(17)5(4)16/h1-2,4,6-7,17-20H,3H2 |
| SMILES | O=C1C(O)C2(O)CC1C1(O)C2C2(Cl)C=CC1(O)C2(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl3O5/c13-9-1-2-10(19,12(9,14)15)11(20)4-3-8(18,7(9)11)6(17)5(4)16/h1-2,4,6-7,17-20H,3H2/t4?,6?,7?,8?,9?,10?,11? |
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| SMILES (mnx) | [CH:1]1=[CH:2][C:10]2([OH:19])[C:11]3([OH:20])[CH:4]4[CH2:3][C:8]([OH:18])([CH:6]([OH:17])[C:5]4=[O:16])[CH:7]3[C:9]1([Cl:13])[C:12]2([Cl:14])[Cl:15] |
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