| Properties | Image |
MNX_ID | MNXM738412 |
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reference | biggM:fe3hox |
formula | C9H23FeN3O6 |
global charge | 2 |
mol weight | 325.143 |
InChIKey | TZTOIBKTIUBWAR-UHFFFAOYSA-N |
InChI | InChI=1S/C9H23N3O6.Fe/c1-4-7(13)11-17-16-9(6-3)12-18-15-8(5-2)10-14;/h7-14H,4-6H2,1-3H3;/q;+2 |
SMILES | CCC(O)NOOC(CC)NOOC(CC)NO.[Fe+2] |
MNX internals
InChI (mnx) | InChI=1/C9H23N3O6.Fe/c1-4-7(13)11-17-16-9(6-3)12-18-15-8(5-2)10-14;/h7-14H,4-6H2,1-3H3;/q;+2/t7?,8?,9?; |
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SMILES (mnx) | [CH3:1][CH2:4][CH:7]([NH:11][O:17][O:16][CH:9]([CH2:6][CH3:3])[NH:12][O:18][O:15][CH:8]([CH2:5][CH3:2])[NH:10][OH:14])[OH:13].[Fe+2:19] |
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