3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; 1H-imidazole; iron(3+)

Systemtic Name: 3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; 1H-imidazole; iron(3+) Openeye Name: ferric; hydron; imidazole; 3-[3,7,12,17-tetramethyl-18-(3-oxido-3-oxo-propyl)-8,13-divinyl-porphyrin-21,24-diid-2-yl]propanoate CAS Name: 3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)-2-porphyrin-21,24-diidyl]propanoate; hydron; 1H-imidazole; iron(3+) IUPAC Name: 3-[8,13-bis(ethenyl)-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)porphyrin-21,24-diid-2-yl]propanoate; hydron; 1H-imidazole; iron(3+) Traditional Name: ferric; glyoxaline; hydron; 3-[18-(3-keto-3-oxido-propyl)-3,7,12,17-tetramethyl-8,13-divinyl-porphine-21,24-diid-2-yl]propionate Formula: C40H40FeN8O4+ MolecularWeight: 752.6418

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C)CCC(=O)[O-])CCC(=O)[O-].C1=CN=CN1.C1=CN=CN1.[Fe+3]

Isomeric SMILES

[H+].[H+].CC1=C(C2=CC3=C(C(=C([N-]3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C)CCC(=O)[O-])CCC(=O)[O-].C1=CN=CN1.C1=CN=CN1.[Fe+3]

InChI

InChI=1S/C34H34N4O4.2C3H4N2.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;2*1-2-5-3-4-1;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);2*1-3H,(H,4,5);/q;;;+3/p-2