2-[(9-acridin-10-ium-9-yl-2,2-dimethoxy-1H-acridin-10-ium-4-yl)methyl]benzoic acid dinitrate

Systemtic Name: 2-[(9-acridin-10-ium-9-yl-2,2-dimethoxy-1H-acridin-10-ium-4-yl)methyl]benzoic acid dinitrate Openeye Name: 2-[(9-acridin-10-ium-9-yl-2,2-dimethoxy-1H-acridin-10-ium-4-yl)methyl]benzoic acid dinitrate CAS Name: 2-[[9-(9-acridin-10-iumyl)-2,2-dimethoxy-1H-acridin-10-ium-4-yl]methyl]benzoic acid dinitrate IUPAC Name: 2-[(9-acridin-10-ium-9-yl-2,2-dimethoxy-1H-acridin-10-ium-4-yl)methyl]benzoic acid dinitrate Traditional Name: 2-[(9-acridin-10-ium-9-yl-2,2-dimethoxy-1H-acridin-10-ium-4-yl)methyl]benzoic acid dinitrate Formula: C36H30N4O10 MolecularWeight: 678.6442

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CC2=C(C3=CC=CC=C3[NH+]=C2C(=C1)CC4=CC=CC=C4C(=O)O)C5=C6C=CC=CC6=[NH+]C7=CC=CC=C75)OC.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

COC1(CC2=C(C3=CC=CC=C3[NH+]=C2C(=C1)CC4=CC=CC=C4C(=O)O)C5=C6C=CC=CC6=[NH+]C7=CC=CC=C75)OC.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C36H28N2O4.2NO3/c1-41-36(42-2)20-23(19-22-11-3-4-12-24(22)35(39)40)34-28(21-36)33(27-15-7-10-18-31(27)38-34)32-25-13-5-8-16-29(25)37-30-17-9-6-14-26(30)32;2*2-1(3)4/h3-18,20H,19,21H2,1-2H3,(H,39,40);;/q;2*-1/p+2