| Properties | Image |
|---|
| MNX_ID | MNXM1195736 |
 |
| reference | envipathM:...65a813858588 |
| formula | C21H25ClN2O9 |
| global charge | 0 |
| mol weight | 484.889 |
| InChIKey | DBSXAYWKDMJENZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H25ClN2O9/c1-23-18(28)21(30,16-13(11-26)9-15(22)10-14(16)12-27)17(33-19(29)32-8-7-25)20(23)3-5-24(31-2)6-4-20/h7,9-11,17,27,30H,3-6,8,12H2,1-2H3 |
| SMILES | CON1CCC2(CC1)C(OC(=O)OCC=O)C(O)(C1=C(C=O)C=C(Cl)C=C1CO)C(=O)N2C |
MNX internals
| InChI (mnx) | InChI=1/C21H25ClN2O9/c1-23-18(28)21(30,16-13(11-26)9-15(22)10-14(16)12-27)17(33-19(29)32-8-7-25)20(23)3-5-24(31-2)6-4-20/h7,9-11,17,27,30H,3-6,8,12H2,1-2H3/t17?,21? |
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| SMILES (mnx) | [CH3:1][N:23]1[C:18](=[O:28])[C:21]([C:16]2=[C:14]([CH2:12][OH:27])[CH:10]=[C:15]([Cl:22])[CH:9]=[C:13]2[CH:11]=[O:26])([OH:30])[CH:17]([O:33][C:19](=[O:29])[O:32][CH2:8][CH:7]=[O:25])[C:20]12[CH2:3][CH2:5][N:24]([O:31][CH3:2])[CH2:6][CH2:4]2 |
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