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

Systemtic Name: 3-[8-ethenyl-3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)-13-propan-2-yl-porphyrin-21,24-diid-2-yl]propanoate; hydron; iron(2+) Openeye Name: ferrous; hydron; 3-[13-isopropyl-3,7,12,17-tetramethyl-18-(3-oxido-3-oxo-propyl)-8-vinyl-porphyrin-21,24-diid-2-yl]propanoate CAS Name: 3-[8-ethenyl-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)-13-propan-2-yl-2-porphyrin-21,24-diidyl]propanoate; hydron; iron(2+) IUPAC Name: 3-[8-ethenyl-3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)-13-propan-2-ylporphyrin-21,24-diid-2-yl]propanoate; hydron; iron(2+) Traditional Name: ferrous; hydron; 3-[13-isopropyl-18-(3-keto-3-oxido-propyl)-3,7,12,17-tetramethyl-8-vinyl-porphine-21,24-diid-2-yl]propionate Formula: C35H36FeN4O4 MolecularWeight: 632.52974

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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)C)CCC(=O)[O-])CCC(=O)[O-].[Fe+2]

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)C)CCC(=O)[O-])CCC(=O)[O-].[Fe+2]

InChI

InChI=1S/C35H38N4O4.Fe/c1-8-22-18(4)25-13-26-19(5)23(9-11-33(40)41)30(37-26)16-31-24(10-12-34(42)43)20(6)27(38-31)15-32-35(17(2)3)21(7)28(39-32)14-29(22)36-25;/h8,13-17H,1,9-12H2,2-7H3,(H4,36,37,38,39,40,41,42,43);/q;+2/p-2