5,10,15,20-tetrakis(1-oct-7-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1-oct-7-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1-oct-7-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1-oct-7-enyl-3-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1-oct-7-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1-oct-7-enylpyridin-1-ium-3-yl)-21,22-dihydroporphine Formula: C72H86N8+4 MolecularWeight: 1063.50684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C72H86N8/c1-5-9-13-17-21-25-45-77-49-29-33-57(53-77)69-61-37-39-63(73-61)70(58-34-30-50-78(54-58)46-26-22-18-14-10-6-2)65-41-43-67(75-65)72(60-36-32-52-80(56-60)48-28-24-20-16-12-8-4)68-44-42-66(76-68)71(64-40-38-62(69)74-64)59-35-31-51-79(55-59)47-27-23-19-15-11-7-3/h5-8,29-44,49-56,73-74H,1-4,9-28,45-48H2/q+4