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

Systemtic Name: hydron; iron(2+); 3-[3,7,12,17-tetramethyl-18-(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate Openeye Name: ferrous; hydron; 3-[3,7,12,17-tetramethyl-18-(3-oxido-3-oxo-propyl)porphyrin-21,24-diid-2-yl]propanoate CAS Name: hydron; iron(2+); 3-[3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)-2-porphyrin-21,24-diidyl]propanoate IUPAC Name: hydron; iron(2+); 3-[3,7,12,17-tetramethyl-18-(3-oxido-3-oxopropyl)porphyrin-21,24-diid-2-yl]propanoate Traditional Name: ferrous; hydron; 3-[18-(3-keto-3-oxido-propyl)-3,7,12,17-tetramethyl-porphine-21,24-diid-2-yl]propionate Formula: C30H28FeN4O4 MolecularWeight: 564.41272

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].CC1=CC2=NC1=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=C2)[N-]5)C)CCC(=O)[O-])CCC(=O)[O-])C)C(=C3)C.[Fe+2]

Isomeric SMILES

[H+].[H+].CC1=CC2=NC1=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=C2)[N-]5)C)CCC(=O)[O-])CCC(=O)[O-])C)C(=C3)C.[Fe+2]

InChI

InChI=1S/C30H30N4O4.Fe/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20;/h9-14H,5-8H2,1-4H3,(H4,31,32,33,34,35,36,37,38);/q;+2/p-2