5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-21,22-dihydroporphyrin dichloride

Systemtic Name: 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-21,22-dihydroporphyrin dichloride Openeye Name: 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-21,22-dihydroporphyrin dichloride CAS Name: 5,15-bis(1,3-dimethyl-2-imidazol-1-iumyl)-21,22-dihydroporphyrin dichloride IUPAC Name: 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-21,22-dihydroporphyrin dichloride Traditional Name: 5,15-bis(1,3-dimethylimidazol-1-ium-2-yl)-21,22-dihydroporphine dichloride Formula: C30H28Cl2N8 MolecularWeight: 571.50292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C[N+](=C1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=[N+](C=CN7C)C)C=C4)N3)C.[Cl-].[Cl-]

Isomeric SMILES

CN1C=C[N+](=C1C2=C3C=CC(=CC4=NC(=C(C5=NC(=CC6=CC=C2N6)C=C5)C7=[N+](C=CN7C)C)C=C4)N3)C.[Cl-].[Cl-]

InChI

InChI=1S/C30H27N8.2ClH/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,(H,31,32,33,34);2*1H/q+1;;/p-1