N,N'-bis(5-methoxy-3-nitro-acridin-9-yl)octane-1,8-diamine dihydrochloride

Systemtic Name: N,N'-bis(5-methoxy-3-nitro-acridin-9-yl)octane-1,8-diamine dihydrochloride Openeye Name: N,N'-bis(5-methoxy-3-nitro-acridin-9-yl)octane-1,8-diamine dihydrochloride CAS Name: N,N'-bis(5-methoxy-3-nitro-9-acridinyl)octane-1,8-diamine dihydrochloride IUPAC Name: N,N'-bis(5-methoxy-3-nitroacridin-9-yl)octane-1,8-diamine dihydrochloride Traditional Name: (5-methoxy-3-nitro-acridin-9-yl)-[8-[(5-methoxy-3-nitro-acridin-9-yl)amino]octyl]amine dihydrochloride Formula: C36H38Cl2N6O6 MolecularWeight: 721.62952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NCCCCCCCCNC4=C5C=CC(=CC5=NC6=C4C=CC=C6OC)[N+](=O)[O-])[N+](=O)[O-].Cl.Cl

Isomeric SMILES

COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NCCCCCCCCNC4=C5C=CC(=CC5=NC6=C4C=CC=C6OC)[N+](=O)[O-])[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C36H36N6O6.2ClH/c1-47-31-13-9-11-27-33(25-17-15-23(41(43)44)21-29(25)39-35(27)31)37-19-7-5-3-4-6-8-20-38-34-26-18-16-24(42(45)46)22-30(26)40-36-28(34)12-10-14-32(36)48-2;;/h9-18,21-22H,3-8,19-20H2,1-2H3,(H,37,39)(H,38,40);2*1H