| Properties | Image |
|---|
| MNX_ID | MNXM78362 |
 |
| reference | seedM:cpd00028 |
| formula | C34H30FeN4O4 |
| global charge | -2 |
| mol weight | 614.483 |
| InChIKey | KABFMIBPWCXCRK-RGGAHWMASA-J |
| InChI | InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-4/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; |
| SMILES | C=CC1=C(C)C2=N/C1=C\C1=C(C)C(CCC(=O)[O-])=C3/C=C4\N=C(/C=C5/C(C)=C(C=C)/C(=C/2)N5[Fe]N13)C(C)=C4CCC(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/b25-13-,26-13-,27-14-,28-15?,29-14?,30-15-,31-16?,32-16-; |
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| SMILES (mnx) | [CH2:1]=[CH:7][C:21]1=[C:17]([CH3:3])/[C:25]2=[CH:13]/[C:26]3=[N:37][C:31](=[CH:16][C:32]4=[N:38][C:28](=[CH:15][C:30]5=[C:22]([CH:8]=[CH2:2])[C:18]([CH3:4])=[C:27]([CH:14]=[C:29]1[N-:35]2)[NH2+:36]5)[C:20]([CH3:6])=[C:24]4[CH2:10][CH2:12][C:34](=[O:41])[OH:42])[C:23]([CH2:9][CH2:11][C:33](=[O:39])[OH:40])=[C:19]3[CH3:5].[Fe+2:43] |
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