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3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoic acid; iron(2+); oxidanylideneoxidanium
3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-porphyrin-21,23-diid-2-yl]propanoic acid; iron(2+); oxidanylideneoxidanium
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Canonical SMILES:
CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=CC5=NC(=CC(=C1C)[N-]2)C(=C5C)CC)[N-]4)C)CCC(=O)O)CCC(=O)O)C.[OH+]=O.[Fe+2]
Isomeric SMILES
CCC1=C2C=C3C(=C(C(=N3)C=C4C(=C(C(=CC5=NC(=CC(=C1C)[N-]2)C(=C5C)CC)[N-]4)C)CCC(=O)O)CCC(=O)O)C.[OH+]=O.[Fe+2]
InChI
InChI=1S/C34H38N4O4.Fe.O2/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;;1-2/h13-16H,7-12H2,1-6H3,(H4,35,36,37,38,39,40,41,42);;/q;+2;/p-1
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