hydron; manganese(3+); 3-[3,8,13,18-tetrakis(2-oxidanidyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate

Systemtic Name: hydron; manganese(3+); 3-[3,8,13,18-tetrakis(2-oxidanidyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-oxidanidyl-3-oxidanylidene-propyl)porphyrin-21,24-diid-2-yl]propanoate Openeye Name: manganic; hydron; 3-[3,8,13,18-tetrakis(2-oxido-2-oxo-ethyl)-7,12,17-tris(3-oxido-3-oxo-propyl)porphyrin-21,24-diid-2-yl]propanoate CAS Name: hydron; manganese(3+); 3-[3,8,13,18-tetrakis(2-oxido-2-oxoethyl)-7,12,17-tris(3-oxido-3-oxopropyl)-2-porphyrin-21,24-diidyl]propanoate IUPAC Name: hydron; manganese(3+); 3-[3,8,13,18-tetrakis(2-oxido-2-oxoethyl)-7,12,17-tris(3-oxido-3-oxopropyl)porphyrin-21,24-diid-2-yl]propanoate Traditional Name: manganic; hydron; 3-[3,8,13,18-tetrakis(2-keto-2-oxido-ethyl)-7,12,17-tris(3-keto-3-oxido-propyl)porphine-21,24-diid-2-yl]propionate Formula: C40H35MnN4O16 MolecularWeight: 882.661149

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Descriptors Computed from Structure

Canonical SMILES:

[H+].[H+].[H+].[H+].[H+].[H+].[H+].C1=C2C(=C(C(=CC3=NC(=CC4=NC(=CC5=C(C(=C1[N-]5)CCC(=O)[O-])CC(=O)[O-])C(=C4CC(=O)[O-])CCC(=O)[O-])C(=C3CC(=O)[O-])CCC(=O)[O-])[N-]2)CCC(=O)[O-])CC(=O)[O-].[Mn+3]

Isomeric SMILES

[H+].[H+].[H+].[H+].[H+].[H+].[H+].C1=C2C(=C(C(=CC3=NC(=CC4=NC(=CC5=C(C(=C1[N-]5)CCC(=O)[O-])CC(=O)[O-])C(=C4CC(=O)[O-])CCC(=O)[O-])C(=C3CC(=O)[O-])CCC(=O)[O-])[N-]2)CCC(=O)[O-])CC(=O)[O-].[Mn+3]

InChI

InChI=1S/C40H38N4O16.Mn/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)13-25(17)41-29;/h13-16H,1-12H2,(H10,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60);/q;+3/p-3