| Properties | Image |
|---|
| MNX_ID | MNXM1322600 |
 |
| reference | envipathM:...0563c257d350 |
| formula | C12H13Cl3O3 |
| global charge | 0 |
| mol weight | 311.592 |
| InChIKey | XUHIEIIEDWTATJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H13Cl3O3/c13-7-4-5-2-1-3(11(17)10(2)16)12(5,18)6(7)9(15)8(4)14/h2-9,11,17-18H,1H2 |
| SMILES | O=C1C(O)C2CC1C1C3C(Cl)C(Cl)C(C3Cl)C21O |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl3O3/c13-7-4-5-2-1-3(11(17)10(2)16)12(5,18)6(7)9(15)8(4)14/h2-9,11,17-18H,1H2/t2?,3?,4?,5?,6?,7?,8?,9?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:2]2[CH:5]3[CH:4]4[CH:7]([Cl:13])[CH:6]([CH:9]([Cl:15])[CH:8]4[Cl:14])[C:12]3([OH:18])[CH:3]1[CH:11]([OH:17])[C:10]2=[O:16] |
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