| Properties | Image |
|---|
| MNX_ID | MNXM1139135 |
 |
| reference | envipathM:...7204da2a9a49 |
| formula | C12H11Cl3O4 |
| global charge | 0 |
| mol weight | 325.575 |
| InChIKey | YCPMXKGNEIYGJC-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl3O4/c13-7-6-5(3-1-2-4(16)8(3)17)11(18)12(19,9(6)14)10(7)15/h3,5-6,8-9,17,19H,1-2H2 |
| SMILES | O=C1CCC(C2C(=O)C3(O)C(Cl)=C(Cl)C2C3Cl)C1O |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl3O4/c13-7-6-5(3-1-2-4(16)8(3)17)11(18)12(19,9(6)14)10(7)15/h3,5-6,8-9,17,19H,1-2H2/t3?,5?,6?,8?,9?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH2:2][C:4](=[O:16])[CH:8]([OH:17])[CH:3]1[CH:5]1[CH:6]2[C:7]([Cl:13])=[C:10]([Cl:15])[C:12]([OH:19])([CH:9]2[Cl:14])[C:11]1=[O:18] |
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