[3-(3-phthalazin-2-ium-2-ylpropanoyloxy)-2,2-bis(3-phthalazin-2-ium-2-ylpropanoyloxymethyl)propyl] 3-phthalazin-2-ium-2-ylpropanoate

Systemtic Name: [3-(3-phthalazin-2-ium-2-ylpropanoyloxy)-2,2-bis(3-phthalazin-2-ium-2-ylpropanoyloxymethyl)propyl] 3-phthalazin-2-ium-2-ylpropanoate Openeye Name: [3-(3-phthalazin-2-ium-2-ylpropanoyloxy)-2,2-bis(3-phthalazin-2-ium-2-ylpropanoyloxymethyl)propyl] 3-phthalazin-2-ium-2-ylpropanoate CAS Name: 3-(2-phthalazin-2-iumyl)propanoic acid [3-[1-oxo-3-(2-phthalazin-2-iumyl)propoxy]-2,2-bis[[1-oxo-3-(2-phthalazin-2-iumyl)propoxy]methyl]propyl] ester IUPAC Name: [3-(3-phthalazin-2-ium-2-ylpropanoyloxy)-2,2-bis(3-phthalazin-2-ium-2-ylpropanoyloxymethyl)propyl] 3-phthalazin-2-ium-2-ylpropanoate Traditional Name: 3-phthalazin-2-ium-2-ylpropionic acid [3-(3-phthalazin-2-ium-2-ylpropanoyloxy)-2,2-bis(3-phthalazin-2-ium-2-ylpropanoyloxymethyl)propyl] ester Formula: C49H48N8O8+4 MolecularWeight: 876.95422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](N=CC2=C1)CCC(=O)OCC(COC(=O)CC[N+]3=CC4=CC=CC=C4C=N3)(COC(=O)CC[N+]5=CC6=CC=CC=C6C=N5)COC(=O)CC[N+]7=CC8=CC=CC=C8C=N7

Isomeric SMILES

C1=CC=C2C=[N+](N=CC2=C1)CCC(=O)OCC(COC(=O)CC[N+]3=CC4=CC=CC=C4C=N3)(COC(=O)CC[N+]5=CC6=CC=CC=C6C=N5)COC(=O)CC[N+]7=CC8=CC=CC=C8C=N7

InChI

InChI=1S/C49H48N8O8/c58-45(17-21-54-29-41-13-5-1-9-37(41)25-50-54)62-33-49(34-63-46(59)18-22-55-30-42-14-6-2-10-38(42)26-51-55,35-64-47(60)19-23-56-31-43-15-7-3-11-39(43)27-52-56)36-65-48(61)20-24-57-32-44-16-8-4-12-40(44)28-53-57/h1-16,25-32H,17-24,33-36H2/q+4