manganese(2+); 5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide; tetrachloride

Systemtic Name: manganese(2+); 5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide; tetrachloride Openeye Name: manganous 5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide tetrachloride CAS Name: manganese(2+); 5,10,15,20-tetrakis(1,3-diethyl-2-imidazol-1-iumyl)porphyrin-22,24-diide; tetrachloride IUPAC Name: manganese(2+); 5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide; tetrachloride Traditional Name: manganous 5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphine-22,24-diide tetrachloride Formula: C48H56Cl4MnN12 MolecularWeight: 997.788689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C[N+](=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=[N+](C=CN7CC)CC)C8=[N+](C=CN8CC)CC)C=C4)C9=[N+](C=CN9CC)CC)[N-]3)CC.[Cl-].[Cl-].[Cl-].[Cl-].[Mn+2]

Isomeric SMILES

CCN1C=C[N+](=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=[N+](C=CN7CC)CC)C8=[N+](C=CN8CC)CC)C=C4)C9=[N+](C=CN9CC)CC)[N-]3)CC.[Cl-].[Cl-].[Cl-].[Cl-].[Mn+2]

InChI

InChI=1S/C48H56N12.4ClH.Mn/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;4*1H;/q+2;;;;;+2/p-4