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

Systemtic Name: 3-fluoranyl-4-[9-(10-methylacridin-10-ium-9-yl)acridin-10-ium-10-yl]benzoic acid dinitrate Openeye Name: 3-fluoro-4-[9-(10-methylacridin-10-ium-9-yl)acridin-10-ium-10-yl]benzoic acid dinitrate CAS Name: 3-fluoro-4-[9-(10-methyl-9-acridin-10-iumyl)-10-acridin-10-iumyl]benzoic acid dinitrate IUPAC Name: 3-fluoro-4-[9-(10-methylacridin-10-ium-9-yl)acridin-10-ium-10-yl]benzoic acid dinitrate Traditional Name: 3-fluoro-4-[9-(10-methylacridin-10-ium-9-yl)acridin-10-ium-10-yl]benzoic acid dinitrate Formula: C34H23FN4O8 MolecularWeight: 634.566823

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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)F.[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)F.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C34H22FN2O2.2NO3/c1-36-27-14-6-2-10-22(27)32(23-11-3-7-15-28(23)36)33-24-12-4-8-16-29(24)37(30-17-9-5-13-25(30)33)31-19-18-21(34(38)39)20-26(31)35;2*2-1(3)4/h2-20H,1H3;;/q+1;2*-1/p+1