10,20-diethyl-5,15-bis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin diiodide

Systemtic Name: 10,20-diethyl-5,15-bis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin diiodide Openeye Name: 10,20-diethyl-5,15-bis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin diiodide CAS Name: 10,20-diethyl-5,15-bis(1-methyl-4-pyridin-1-iumyl)-21,22-dihydroporphyrin diiodide IUPAC Name: 10,20-diethyl-5,15-bis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphyrin diiodide Traditional Name: 10,20-diethyl-5,15-bis(1-methylpyridin-1-ium-4-yl)-21,22-dihydroporphine diiodide Formula: C36H34I2N6 MolecularWeight: 804.5043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC=[N+](C=C6)C)CC)C7=CC=[N+](C=C7)C)N2.[I-].[I-]

Isomeric SMILES

CCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)C6=CC=[N+](C=C6)C)CC)C7=CC=[N+](C=C7)C)N2.[I-].[I-]

InChI

InChI=1S/C36H33N6.2HI/c1-5-25-27-7-11-31(37-27)35(23-15-19-41(3)20-16-23)33-13-9-29(39-33)26(6-2)30-10-14-34(40-30)36(32-12-8-28(25)38-32)24-17-21-42(4)22-18-24;;/h7-22H,5-6H2,1-4H3,(H,37,38,39,40);2*1H/q+1;;/p-1