| Properties | Image |
|---|
| MNX_ID | MNXM1193082 |
 |
| reference | envipathM:...6a27b69a9649 |
| formula | C19H23ClN2O8 |
| global charge | 0 |
| mol weight | 442.852 |
| InChIKey | DJVQMXYBJJJRBR-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H23ClN2O8/c1-3-29-18(27)30-16-13(12-10(9-23)8-11(20)14(24)15(12)25)17(26)21-19(16)4-6-22(28-2)7-5-19/h8,23-25H,3-7,9H2,1-2H3,(H,21,26) |
| SMILES | CCOC(=O)OC1=C(C2=C(O)C(O)=C(Cl)C=C2CO)C(=O)NC12CCN(OC)CC2 |
MNX internals
| InChI (mnx) | InChI=1/C19H23ClN2O8/c1-3-29-18(27)30-16-13(12-10(9-23)8-11(20)14(24)15(12)25)17(26)21-19(16)4-6-22(28-2)7-5-19/h8,23-25H,3-7,9H2,1-2H3,(H,21,26) |
 |
| SMILES (mnx) | [CH3:1][CH2:3][O:29][C:18](=[O:27])[O:30][C:16]1=[C:13]([C:12]2=[C:15]([OH:25])[C:14]([OH:24])=[C:11]([Cl:20])[CH:8]=[C:10]2[CH2:9][OH:23])[C:17]([OH:26])=[N:21][C:19]12[CH2:4][CH2:6][N:22]([O:28][CH3:2])[CH2:7][CH2:5]2 |
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