| Properties | Image |
|---|
| MNX_ID | MNXM1138300 |
 |
| reference | envipathM:...943e9285cda2 |
| formula | C12H13Cl3O4 |
| global charge | 0 |
| mol weight | 327.591 |
| InChIKey | TUGCGURUVOHPLD-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H13Cl3O4/c13-4-2-11(19)7-5(12(4,15)9(11)14)3-1-10(7,18)8(17)6(3)16/h3-7,9,16,18-19H,1-2H2 |
| SMILES | O=C1C(O)C2CC1(O)C1C2C2(Cl)C(Cl)CC1(O)C2Cl |
MNX internals
| InChI (mnx) | InChI=1/C12H13Cl3O4/c13-4-2-11(19)7-5(12(4,15)9(11)14)3-1-10(7,18)8(17)6(3)16/h3-7,9,16,18-19H,1-2H2/t3?,4?,5?,6?,7?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH2:1]1[CH:3]2[CH:5]3[CH:7]([C:10]1([OH:18])[C:8](=[O:17])[CH:6]2[OH:16])[C:11]1([OH:19])[CH2:2][CH:4]([Cl:13])[C:12]3([Cl:15])[CH:9]1[Cl:14] |
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