5,10,15,20-tetrakis(1-prop-2-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetrakis(1-prop-2-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetrakis(1-allylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetrakis(1-prop-2-enyl-3-pyridin-1-iumyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetrakis(1-prop-2-enylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetrakis(1-allylpyridin-1-ium-3-yl)-21,22-dihydroporphine Formula: C52H46N8+4 MolecularWeight: 782.97524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H46N8/c1-5-25-57-29-9-13-37(33-57)49-41-17-19-43(53-41)50(38-14-10-30-58(34-38)26-6-2)45-21-23-47(55-45)52(40-16-12-32-60(36-40)28-8-4)48-24-22-46(56-48)51(44-20-18-42(49)54-44)39-15-11-31-59(35-39)27-7-3/h5-24,29-36,53-54H,1-4,25-28H2/q+4