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

Systemtic Name: 5,10,15,20-tetrakis(1-butylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1-butylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1-butyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1-butylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1-butylpyridin-1-ium-4-yl)-21,22-dihydroporphine Formula: C56H62N8+4 MolecularWeight: 847.14508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C56H61N8/c1-5-9-29-61-33-21-41(22-34-61)53-45-13-15-47(57-45)54(42-23-35-62(36-24-42)30-10-6-2)49-17-19-51(59-49)56(44-27-39-64(40-28-44)32-12-8-4)52-20-18-50(60-52)55(48-16-14-46(53)58-48)43-25-37-63(38-26-43)31-11-7-3/h13-28,33-40H,5-12,29-32H2,1-4H3,(H,57,58,59,60)/q+3/p+1