ferric;hydron;3-[(1Z,4Z,10Z,15Z)-8,12,18-tris(2-carboxylatoethyl)-3,7,13,17-tetramethyl-porphyrin-21,22-diid-2-yl]propanoate

More details:

• Systematic name

  ferric;hydron;3-[(1Z,4Z,10Z,15Z)-8,12,18-tris(2-carboxylatoethyl)-3,7,13,17-tetramethyl-porphyrin-21,22-diid-2-yl]propanoate

• SMILES

  [H+].[H+].[H+].[H+].Cc1c2/cc\3/c(c(/c(/[n-]3)c/c4n/c(c\c5n/c(c\c(c1CCC(=O)[O-])[n-]2)/C(=C5C)CCC(=O)[O-])/C(=C4CCC(=O)[O-])C)CCC(=O)[O-])C.[Fe+3]

• Std. InChi

  InChI=1S/C36H38N4O8.Fe/c1-17-21(5-9-33(41)42)29-15-30-23(7-11-35(45)46)19(3)27(39-30)14-28-20(4)24(8-12-36(47)48)32(40-28)16-31-22(6-10-34(43)44)18(2)26(38-31)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H6,37,38,39,40,41,42,43,44,45,46,47,48);/q;+3/p-2/b25-13-,26-13-,27-14-,28-14-,29-15-,30-15-,31-16-,32-16-;

• Std. InChIKey

  QZOKCAXBOXEOHJ-HMFWMICWSA-L

• Cite this record

  CSID:166495, http://www.chemspider.com/Chemical-Structure.166495.html (accessed 07:38, Apr 19, 2024)