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

Systemtic Name: 5,10,15,20-tetrakis(1-ethylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin tetraiodide Openeye Name: 5,10,15,20-tetrakis(1-ethylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin tetraiodide CAS Name: 5,10,15,20-tetrakis(1-ethyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin tetraiodide IUPAC Name: 5,10,15,20-tetrakis(1-ethylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin tetraiodide Traditional Name: 5,10,15,20-tetrakis(1-ethylpyridin-1-ium-4-yl)-21,22-dihydroporphine tetraiodide Formula: C48H46I4N8 MolecularWeight: 1242.55032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H45N8.4HI/c1-5-53-25-17-33(18-26-53)45-37-9-11-39(49-37)46(34-19-27-54(6-2)28-20-34)41-13-15-43(51-41)48(36-23-31-56(8-4)32-24-36)44-16-14-42(52-44)47(40-12-10-38(45)50-40)35-21-29-55(7-3)30-22-35;;;;/h9-32H,5-8H2,1-4H3,(H,49,50,51,52);4*1H/q+3;;;;/p-3