| Properties | Image |
|---|
| MNX_ID | MNXM1178967 |
 |
| reference | envipathM:...6234d3d29aea |
| formula | C12H12Cl3O5 |
| global charge | -1 |
| mol weight | 342.582 |
| InChIKey | HTSNAURECKSXTK-UHFFFAOYSA-M |
| InChI | InChI=1S/C12H13Cl3O5/c13-5-2-11(15)8(14)6(5)7-3(9(16)17)1-4(10(18)19)12(7,11)20/h2-4,6-8,10,18-20H,1H2,(H,16,17)/p-1 |
| SMILES | O=C([O-])C1CC(C(O)O)C2(O)C1C1C(Cl)=CC2(Cl)C1Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl3O5/c13-5-2-11(15)8(14)6(5)7-3(9(16)17)1-4(10(18)19)12(7,11)20/h2-4,6-8,10,18-20H,1H2,(H,16,17)/t3?,4?,6?,7?,8?,11?,12? |
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| SMILES (mnx) | [CH2:1]1[CH:3]([C:9](=[O:16])[OH:17])[CH:7]2[CH:6]3[C:5]([Cl:13])=[CH:2][C:11]([Cl:15])([CH:8]3[Cl:14])[C:12]2([OH:20])[CH:4]1[CH:10]([OH:18])[OH:19] |
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