methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-8,13-bis(2-pyridin-1-ium-1-ylethyl)-22,23-dihydroporphyrin-2-yl]propanoate dibromide

Systemtic Name: methyl 3-[18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-8,13-bis(2-pyridin-1-ium-1-ylethyl)-22,23-dihydroporphyrin-2-yl]propanoate dibromide Openeye Name: methyl 3-[18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-8,13-bis(2-pyridin-1-ium-1-ylethyl)-22,23-dihydroporphyrin-2-yl]propanoate dibromide CAS Name: 3-[18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-8,13-bis[2-(1-pyridin-1-iumyl)ethyl]-22,23-dihydroporphyrin-2-yl]propanoic acid methyl ester dibromide IUPAC Name: methyl 3-[18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-8,13-bis(2-pyridin-1-ium-1-ylethyl)-22,23-dihydroporphyrin-2-yl]propanoate dibromide Traditional Name: 3-[18-(3-keto-3-methoxy-propyl)-3,7,12,17-tetramethyl-8,13-bis(2-pyridin-1-ium-1-ylethyl)-22,23-dihydroporphin-2-yl]propionic acid methyl ester dibromide Formula: C46H50Br2N6O4 MolecularWeight: 910.735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC[N+]6=CC=CC=C6)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)CC[N+]7=CC=CC=C7.[Br-].[Br-]

Isomeric SMILES

CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)CC[N+]6=CC=CC=C6)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)CC[N+]7=CC=CC=C7.[Br-].[Br-]

InChI

InChI=1S/C46H50N6O4.2BrH/c1-29-33(13-15-45(53)55-5)43-28-44-34(14-16-46(54)56-6)30(2)39(50-44)26-42-36(18-24-52-21-11-8-12-22-52)32(4)40(49-42)27-41-35(17-23-51-19-9-7-10-20-51)31(3)38(47-41)25-37(29)48-43;;/h7-12,19-22,25-28,47,49H,13-18,23-24H2,1-6H3;2*1H/q+2;;/p-2