| Properties | Image |
|---|
| MNX_ID | MNXM46440 |
 |
| reference | chebi:3627 |
| formula | C19H24Cl2O7 |
| global charge | 0 |
| mol weight | 435.3 |
| InChIKey | NUVAJKJDTZTFLK-KPSOQAITSA-N |
| InChI | InChI=1S/C19H24Cl2O7/c1-8-4-11(27-17(24)18(3,25)6-20)13-9(2)16(23)28-15(13)14-10(8)5-12(22)19(14,26)7-21/h10-15,22,25-26H,1-2,4-7H2,3H3/t10-,11-,12+,13+,14-,15-,18+,19+/m0/s1 |
| SMILES | C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)[C@](C)(O)CCl)CC(=C)[C@@H]1C[C@@H](O)[C@](O)(CCl)[C@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C19H24Cl2O7/c1-8-4-11(27-17(24)18(3,25)6-20)13-9(2)16(23)28-15(13)14-10(8)5-12(22)19(14,26)7-21/h10-15,22,25-26H,1-2,4-7H2,3H3/t10-,11-,12+,13+,14-,15-,18+,19+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:8]1[CH2:4][C@H:11]([O:27][C:17]([C@@:18]([CH3:3])([CH2:6][Cl:20])[OH:25])=[O:24])[C@H:13]2[C:9](=[CH2:2])[C:16](=[O:23])[O:28][C@@H:15]2[C@@H:14]2[C@H:10]1[CH2:5][C@@H:12]([OH:22])[C@@:19]2([CH2:7][Cl:21])[OH:26] |
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