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iron(2+); 3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoic acid
iron(2+); 3-[8,13,18-tris(2-carboxyethyl)-3,7,12,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoic acid
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Canonical SMILES:
CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)O)C)CCC(=O)O)C(=C3CCC(=O)O)C)CCC(=O)O.[Fe+2]
Isomeric SMILES
CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)O)C)CCC(=O)O)C(=C3CCC(=O)O)C)CCC(=O)O.[Fe+2]
InChI
InChI=1S/C36H38N4O8.Fe/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)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;+2/p-2
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