| Properties | Image |
|---|
| MNX_ID | MNXM1187730 |
 |
| reference | envipathM:...07eaf0d3afcd |
| formula | C12H11Cl3O4 |
| global charge | 0 |
| mol weight | 325.575 |
| InChIKey | NZKKQOBQCYLTJX-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl3O4/c13-6-3-5-8(10(17)12(6,15)9(5)14)4-1-2-7(16)19-11(4)18/h3-5,8-9,11,18H,1-2H2 |
| SMILES | O=C1CCC(C2C(=O)C3(Cl)C(Cl)=CC2C3Cl)C(O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl3O4/c13-6-3-5-8(10(17)12(6,15)9(5)14)4-1-2-7(16)19-11(4)18/h3-5,8-9,11,18H,1-2H2/t4?,5?,8?,9?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][C:7](=[O:16])[O:19][CH:11]([OH:18])[CH:4]1[CH:8]1[CH:5]2[CH:3]=[C:6]([Cl:13])[C:12]([Cl:15])([CH:9]2[Cl:14])[C:10]1=[O:17] |
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