dimethyl 4-(5-phenanthridin-5-ium-5-ylpentoxy)-1,10-phenanthroline-2,9-dicarboxylate

Systemtic Name: dimethyl 4-(5-phenanthridin-5-ium-5-ylpentoxy)-1,10-phenanthroline-2,9-dicarboxylate Openeye Name: dimethyl 4-(5-phenanthridin-5-ium-5-ylpentoxy)-1,10-phenanthroline-2,9-dicarboxylate CAS Name: 4-[5-(5-phenanthridin-5-iumyl)pentoxy]-1,10-phenanthroline-2,9-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(5-phenanthridin-5-ium-5-ylpentoxy)-1,10-phenanthroline-2,9-dicarboxylate Traditional Name: 4-(5-phenanthridin-5-ium-5-ylpentoxy)-1,10-phenanthroline-2,9-dicarboxylic acid dimethyl ester Formula: C34H30N3O5+ MolecularWeight: 560.6191

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=C(C=CC3=C2N=C(C=C3OCCCCC[N+]4=CC5=CC=CC=C5C6=CC=CC=C64)C(=O)OC)C=C1

Isomeric SMILES

COC(=O)C1=NC2=C(C=CC3=C2N=C(C=C3OCCCCC[N+]4=CC5=CC=CC=C5C6=CC=CC=C64)C(=O)OC)C=C1

InChI

InChI=1S/C34H30N3O5/c1-40-33(38)27-17-15-22-14-16-26-30(20-28(34(39)41-2)36-32(26)31(22)35-27)42-19-9-3-8-18-37-21-23-10-4-5-11-24(23)25-12-6-7-13-29(25)37/h4-7,10-17,20-21H,3,8-9,18-19H2,1-2H3/q+1