| Properties | Image |
|---|
| MNX_ID | MNXM1187237 |
 |
| reference | envipathM:...c7fa65fbc3f3 |
| formula | C17H20I3N3O8 |
| global charge | 0 |
| mol weight | 775.072 |
| InChIKey | GLFCGZFVIGYMAQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H20I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-4-7(27)5-25)12(18)11(14(15)20)17(31)22-8(28)2-3-24/h5,7-8,24,26-28H,2-4,6H2,1H3,(H,21,30)(H,22,31) |
| SMILES | CN(C(=O)CO)C1=C(I)C(C(=O)NC(O)CCO)=C(I)C(C(=O)NCC(O)C=O)=C1I |
MNX internals
| InChI (mnx) | InChI=1/C17H20I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-4-7(27)5-25)12(18)11(14(15)20)17(31)22-8(28)2-3-24/h5,7-8,24,26-28H,2-4,6H2,1H3,(H,21,30)(H,22,31)/t7?,8? |
 |
| SMILES (mnx) | [CH3:1][N:23]([C:9]([CH2:6][OH:26])=[O:29])[C:15]1=[C:13]([I:19])[C:10]([C:16](=[N:21][CH2:4][CH:7]([CH:5]=[O:25])[OH:27])[OH:30])=[C:12]([I:18])[C:11]([C:17](=[N:22][CH:8]([CH2:2][CH2:3][OH:24])[OH:28])[OH:31])=[C:14]1[I:20] |
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