5,10,15-tris(1-methylpyridin-1-ium-4-yl)-22,24-dihydro-21H-corrin triiodide

Systemtic Name: 5,10,15-tris(1-methylpyridin-1-ium-4-yl)-22,24-dihydro-21H-corrin triiodide Openeye Name: 5,10,15-tris(1-methylpyridin-1-ium-4-yl)-22,24-dihydro-21H-corrin triiodide CAS Name: 5,10,15-tris(1-methyl-4-pyridin-1-iumyl)-22,24-dihydro-21H-corrin triiodide IUPAC Name: 5,10,15-tris(1-methylpyridin-1-ium-4-yl)-22,24-dihydro-21H-corrin triiodide Traditional Name: 5,10,15-tris(1-methylpyridin-1-ium-4-yl)-22,24-dihydro-21H-corrin triiodide Formula: C37H32I3N7 MolecularWeight: 955.41029

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)N3.[I-].[I-].[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)N3.[I-].[I-].[I-]

InChI

InChI=1S/C37H30N7.3HI/c1-42-18-12-24(13-19-42)35-29-6-4-27(38-29)28-5-7-30(39-28)36(25-14-20-43(2)21-15-25)32-9-11-34(41-32)37(33-10-8-31(35)40-33)26-16-22-44(3)23-17-26;;;/h4-23H,1-3H3,(H,40,41);3*1H/q+1;;;/p-1