5,10,15,20-tetrakis(1-hept-6-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin tetrabromide

Systemtic Name: 5,10,15,20-tetrakis(1-hept-6-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin tetrabromide Openeye Name: 5,10,15,20-tetrakis(1-hept-6-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin tetrabromide CAS Name: 5,10,15,20-tetrakis(1-hept-6-enyl-3-pyridin-1-iumyl)-21,22-dihydroporphyrin tetrabromide IUPAC Name: 5,10,15,20-tetrakis(1-hept-6-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin tetrabromide Traditional Name: 5,10,15,20-tetrakis(1-hept-6-enylpyridin-1-ium-3-yl)-21,22-dihydroporphine tetrabromide Formula: C68H78Br4N8 MolecularWeight: 1327.01652

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCC[N+]1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C[N+](=CC=C7)CCCCCC=C)C8=C[N+](=CC=C8)CCCCCC=C)C9=C[N+](=CC=C9)CCCCCC=C)N3.[Br-].[Br-].[Br-].[Br-]

Isomeric SMILES

C=CCCCCC[N+]1=CC=CC(=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C[N+](=CC=C7)CCCCCC=C)C8=C[N+](=CC=C8)CCCCCC=C)C9=C[N+](=CC=C9)CCCCCC=C)N3.[Br-].[Br-].[Br-].[Br-]

InChI

InChI=1S/C68H78N8.4BrH/c1-5-9-13-17-21-41-73-45-25-29-53(49-73)65-57-33-35-59(69-57)66(54-30-26-46-74(50-54)42-22-18-14-10-6-2)61-37-39-63(71-61)68(56-32-28-48-76(52-56)44-24-20-16-12-8-4)64-40-38-62(72-64)67(60-36-34-58(65)70-60)55-31-27-47-75(51-55)43-23-19-15-11-7-3;;;;/h5-8,25-40,45-52,69-70H,1-4,9-24,41-44H2;4*1H/q+4;;;;/p-4