| Properties | Image |
|---|
| MNX_ID | MNXM1190741 |
 |
| reference | envipathM:...f970e3441b16 |
| formula | C12H15ClO4 |
| global charge | 0 |
| mol weight | 258.701 |
| InChIKey | SMFOVNRNTYECGL-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H15ClO4/c13-10-2-1-5(3-10)12(17)6-4-11(16,9(10)12)8(15)7(6)14/h1-2,5-9,14-17H,3-4H2 |
| SMILES | OC1C(O)C2(O)CC1C1(O)C3C=CC(Cl)(C3)C21 |
MNX internals
| InChI (mnx) | InChI=1/C12H15ClO4/c13-10-2-1-5(3-10)12(17)6-4-11(16,9(10)12)8(15)7(6)14/h1-2,5-9,14-17H,3-4H2/t5?,6?,7?,8?,9?,10?,11?,12? |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:10]2([Cl:13])[CH2:3][CH:5]1[C:12]1([OH:17])[CH:6]3[CH2:4][C:11]([OH:16])([CH:8]([OH:15])[CH:7]3[OH:14])[CH:9]21 |
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