5,10,15,20-tetrakis(1-pent-4-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1-pent-4-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1-pent-4-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1-pent-4-enyl-3-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1-pent-4-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1-pent-4-enylpyridin-1-ium-3-yl)-21,22-dihydroporphine Formula: C60H62N8+4 MolecularWeight: 895.18788

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC[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)CCCC=C)C8=C[N+](=CC=C8)CCCC=C)C9=C[N+](=CC=C9)CCCC=C)N3

Isomeric SMILES

C=CCCC[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)CCCC=C)C8=C[N+](=CC=C8)CCCC=C)C9=C[N+](=CC=C9)CCCC=C)N3

InChI

InChI=1S/C60H62N8/c1-5-9-13-33-65-37-17-21-45(41-65)57-49-25-27-51(61-49)58(46-22-18-38-66(42-46)34-14-10-6-2)53-29-31-55(63-53)60(48-24-20-40-68(44-48)36-16-12-8-4)56-32-30-54(64-56)59(52-28-26-50(57)62-52)47-23-19-39-67(43-47)35-15-11-7-3/h5-8,17-32,37-44,61-62H,1-4,9-16,33-36H2/q+4