| Properties | Image |
|---|
| MNX_ID | MNXM1190235 |
 |
| reference | envipathM:...d7bfb0a5316f |
| formula | C12H13Cl3O4 |
| global charge | 0 |
| mol weight | 327.591 |
| InChIKey | BUUDHGWDEBAAAJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H13Cl3O4/c13-6-5-4-3(11(18,8(6)16)12(5,14)15)2-1-10(4,17)9-7(2)19-9/h2-9,16-18H,1H2 |
| SMILES | OC1C(Cl)C2C3C(C4CC3(O)C3OC43)C1(O)C2(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl3O4/c13-6-5-4-3(11(18,8(6)16)12(5,14)15)2-1-10(4,17)9-7(2)19-9/h2-9,16-18H,1H2/t2?,3?,4?,5?,6?,7?,8?,9?,10?,11? |
 |
| SMILES (mnx) | [CH2:1]1[CH:2]2[CH:3]3[CH:4]([CH:5]4[CH:6]([Cl:13])[CH:8]([OH:16])[C:11]3([OH:18])[C:12]4([Cl:14])[Cl:15])[C:10]1([OH:17])[CH:9]1[CH:7]2[O:19]1 |
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