5,10,15,20-tetrakis(1-ethylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin tetrachloride

Systemtic Name: 5,10,15,20-tetrakis(1-ethylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin tetrachloride Openeye Name: 5,10,15,20-tetrakis(1-ethylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin tetrachloride CAS Name: 5,10,15,20-tetrakis(1-ethyl-3-pyridin-1-iumyl)-21,22-dihydroporphyrin tetrachloride IUPAC Name: 5,10,15,20-tetrakis(1-ethylpyridin-1-ium-3-yl)-21,22-dihydroporphyrin tetrachloride Traditional Name: 5,10,15,20-tetrakis(1-ethylpyridin-1-ium-3-yl)-21,22-dihydroporphine tetrachloride Formula: C48H46Cl4N8 MolecularWeight: 876.74444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C48H46N8.4ClH/c1-5-53-25-9-13-33(29-53)45-37-17-19-39(49-37)46(34-14-10-26-54(6-2)30-34)41-21-23-43(51-41)48(36-16-12-28-56(8-4)32-36)44-24-22-42(52-44)47(40-20-18-38(45)50-40)35-15-11-27-55(7-3)31-35;;;;/h9-32,49-50H,5-8H2,1-4H3;4*1H/q+4;;;;/p-4