| Properties | Image |
|---|
| MNX_ID | MNXM1174578 |
 |
| reference | envipathM:...bf2b211e123f |
| formula | C12H11Cl3O4 |
| global charge | 0 |
| mol weight | 325.575 |
| InChIKey | AACBCEHKFCXDJV-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl3O4/c13-4-1-3-5-7(6(4)12(3,14)15)11(19)2-10(5,18)8(16)9(11)17/h1,3,5-7,9,17-19H,2H2 |
| SMILES | O=C1C(O)C2(O)CC1(O)C1C3C=C(Cl)C(C12)C3(Cl)Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H11Cl3O4/c13-4-1-3-5-7(6(4)12(3,14)15)11(19)2-10(5,18)8(16)9(11)17/h1,3,5-7,9,17-19H,2H2/t3?,5?,6?,7?,9?,10?,11? |
 |
| SMILES (mnx) | [CH:1]1=[C:4]([Cl:13])[CH:6]2[CH:7]3[CH:5]([CH:3]1[C:12]2([Cl:14])[Cl:15])[C:10]1([OH:18])[CH2:2][C:11]3([OH:19])[CH:9]([OH:17])[C:8]1=[O:16] |
|