5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,22-dihydroporphyrin tetraiodide

Systemtic Name: 5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,22-dihydroporphyrin tetraiodide Openeye Name: 5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,22-dihydroporphyrin tetraiodide CAS Name: 5,10,15,20-tetrakis(1,3-diethyl-2-imidazol-1-iumyl)-21,22-dihydroporphyrin tetraiodide IUPAC Name: 5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,22-dihydroporphyrin tetraiodide Traditional Name: 5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)-21,22-dihydroporphine tetraiodide Formula: C48H58I4N12 MolecularWeight: 1310.6724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C[N+](=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=[N+](C=CN7CC)CC)C8=[N+](C=CN8CC)CC)C9=[N+](C=CN9CC)CC)N3)CC.[I-].[I-].[I-].[I-]

Isomeric SMILES

CCN1C=C[N+](=C1C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=[N+](C=CN7CC)CC)C8=[N+](C=CN8CC)CC)C9=[N+](C=CN9CC)CC)N3)CC.[I-].[I-].[I-].[I-]

InChI

InChI=1S/C48H57N12.4HI/c1-9-53-25-26-54(10-2)45(53)41-33-17-19-35(49-33)42(46-55(11-3)27-28-56(46)12-4)37-21-23-39(51-37)44(48-59(15-7)31-32-60(48)16-8)40-24-22-38(52-40)43(36-20-18-34(41)50-36)47-57(13-5)29-30-58(47)14-6;;;;/h17-32H,9-16H2,1-8H3,(H,49,50,51,52);4*1H/q+3;;;;/p-3