3-methoxy-4-[9-(10-methylacridin-10-ium-9-yl)acridin-10-ium-10-yl]benzoic acid dinitrate

Systemtic Name: 3-methoxy-4-[9-(10-methylacridin-10-ium-9-yl)acridin-10-ium-10-yl]benzoic acid dinitrate Openeye Name: 3-methoxy-4-[9-(10-methylacridin-10-ium-9-yl)acridin-10-ium-10-yl]benzoic acid dinitrate CAS Name: 3-methoxy-4-[9-(10-methyl-9-acridin-10-iumyl)-10-acridin-10-iumyl]benzoic acid dinitrate IUPAC Name: 3-methoxy-4-[9-(10-methylacridin-10-ium-9-yl)acridin-10-ium-10-yl]benzoic acid dinitrate Traditional Name: 3-methoxy-4-[9-(10-methylacridin-10-ium-9-yl)acridin-10-ium-10-yl]benzoic acid dinitrate Formula: C35H26N4O9 MolecularWeight: 646.60234

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C7=C(C=C(C=C7)C(=O)O)OC.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C7=C(C=C(C=C7)C(=O)O)OC.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C35H25N2O3.2NO3/c1-36-27-15-7-3-11-23(27)33(24-12-4-8-16-28(24)36)34-25-13-5-9-17-29(25)37(30-18-10-6-14-26(30)34)31-20-19-22(35(38)39)21-32(31)40-2;2*2-1(3)4/h3-21H,1-2H3;;/q+1;2*-1/p+1