| Properties | Image |
|---|
| MNX_ID | MNXM1189303 |
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| reference | envipathM:...b6f7ef55fee6 |
| formula | C20H18Cl2N2O7 |
| global charge | 0 |
| mol weight | 469.277 |
| InChIKey | OKAGQGVXHHPOCN-YUNKPMOVSA-N |
| InChI | InChI=1S/C20H18Cl2N2O7/c21-11-1-2-13(14(22)5-11)20(9-24-4-3-23-10-24)30-8-12(31-20)7-29-16-6-15(25)17(26)19(28)18(16)27/h1-6,10,12,25-28H,7-9H2/t12-,20-/m0/s1 |
| SMILES | OC1=C(O)C(O)=C(O)C(OC[C@H]2CO[C@](CN3C=CN=C3)(C3=CC=C(Cl)C=C3Cl)O2)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H18Cl2N2O7/c21-11-1-2-13(14(22)5-11)20(9-24-4-3-23-10-24)30-8-12(31-20)7-29-16-6-15(25)17(26)19(28)18(16)27/h1-6,10,12,25-28H,7-9H2/t12-,20-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:13]([C@@:20]2([CH2:9][N:24]3[CH:4]=[CH:3][N:23]=[CH:10]3)[O:30][CH2:8][C@H:12]([CH2:7][O:29][C:16]3=[C:18]([OH:27])[C:19]([OH:28])=[C:17]([OH:26])[C:15]([OH:25])=[CH:6]3)[O:31]2)=[C:14]([Cl:22])[CH:5]=[C:11]1[Cl:21] |
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