Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LEH18F
|
|||
| Ligand Name |
[3,3'-{(3s,4s)-13-Ethenyl-3,7,12,17-Tetramethyl-8-[(E)-2-Nitroethenyl]-3,4-Dihydroporphyrin-2,18-Diyl-Kappa~4~n~21~,N~22~,N~23~,N~24~}dipropanoato(4-)]iron
|
|||
| Synonyms |
[3,3'-{(3s,4s)-13-Ethenyl-3,7,12,17-Tetramethyl-8-[(E)-2-Nitroethenyl]-3,4-Dihydroporphyrin-2,18-Diyl-Kappa~4~n~21~,N~22~,N~23~,N~24~}dipropanoato(4-)]iron; NTE; [3,3'-{7-Ethenyl-3,8,13,17-Tetramethyl-12-[(E)-2-Nitroethenyl]porphyrin-2,18-Diyl-Kappa~4~n~21~,N~22~,N~23~,N~24~}dipropanoato(2-)]iron
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C34H31FeN5O6
|
|||
| Canonical SMILES |
CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C[N+](=O)[O-])C)C(=C3CCC(=O)O)C)CCC(=O)O.[Fe+2]
|
|||
| InChI |
1S/C34H33N5O6.Fe/c1-6-21-17(2)27-15-30-24(11-12-39(44)45)20(5)26(36-30)13-25-18(3)22(7-9-33(40)41)31(37-25)16-32-23(8-10-34(42)43)19(4)28(38-32)14-29(21)35-27;/h6,11-16H,1,7-10H2,2-5H3,(H4,35,36,37,38,40,41,42,43);/q;+2/p-2/b12-11+,25-13?,26-13?,27-15?,28-14?,29-14?,30-15?,31-16?,32-16?;
|
|||
| InChIKey |
MBEUICWDKPMPCN-NYSDVVOWSA-L
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.