zinc 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide diiodide

Systemtic Name: zinc 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide diiodide Openeye Name: zinc 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide diiodide CAS Name: zinc 5,15-bis(1,3-dimethyl-2-imidazol-1-iumyl)porphyrin-22,24-diide diiodide IUPAC Name: zinc 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphyrin-22,24-diide diiodide Traditional Name: zinc 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)porphine-22,24-diide diiodide Formula: C30H26I2N8Zn MolecularWeight: 817.79898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C=C6C=CC2=N6)C7=[N+](C=CN7C)C)C=C4)[N-]3)C.[Zn+2].[I-].[I-]

Isomeric SMILES

CN1C=C[N+](=C1C2=C3C=CC(=CC4=NC(=C(C5=CC=C([N-]5)C=C6C=CC2=N6)C7=[N+](C=CN7C)C)C=C4)[N-]3)C.[Zn+2].[I-].[I-]

InChI

InChI=1S/C30H26N8.2HI.Zn/c1-35-13-14-36(2)29(35)27-23-9-5-19(31-23)17-21-7-11-25(33-21)28(30-37(3)15-16-38(30)4)26-12-8-22(34-26)18-20-6-10-24(27)32-20;;;/h5-18H,1-4H3;2*1H;/q;;;+2/p-2