| Properties | Image |
|---|
| MNX_ID | MNXM1173097 |
 |
| reference | envipathM:...f17cc512f344 |
| formula | C12H13Cl3O4 |
| global charge | 0 |
| mol weight | 327.591 |
| InChIKey | MAZXNJYNWGFNSO-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H13Cl3O4/c13-7-6-4-3(5(9(7)17)12(6,14)15)2-1-11(4,19)10(18)8(2)16/h2-7,9-10,17-19H,1H2 |
| SMILES | O=C1C2CC(O)(C1O)C1C2C2C(O)C(Cl)C1C2(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl3O4/c13-7-6-4-3(5(9(7)17)12(6,14)15)2-1-11(4,19)10(18)8(2)16/h2-7,9-10,17-19H,1H2/t2?,3?,4?,5?,6?,7?,9?,10?,11? |
 |
| SMILES (mnx) | [CH2:1]1[CH:2]2[CH:3]3[CH:4]([CH:6]4[CH:7]([Cl:13])[CH:9]([OH:17])[CH:5]3[C:12]4([Cl:14])[Cl:15])[C:11]1([OH:19])[CH:10]([OH:18])[C:8]2=[O:16] |
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