1,3-bis[(2-chloranyl-5-nitro-phenyl)-phenyl-methyl]imidazol-1-ium

Systemtic Name: 1,3-bis[(2-chloranyl-5-nitro-phenyl)-phenyl-methyl]imidazol-1-ium Openeye Name: 1,3-bis[(2-chloro-5-nitro-phenyl)-phenyl-methyl]imidazol-1-ium CAS Name: 1,3-bis[(2-chloro-5-nitrophenyl)-phenylmethyl]imidazol-1-ium IUPAC Name: 1,3-bis[(2-chloro-5-nitrophenyl)-phenylmethyl]imidazol-1-ium Traditional Name: 1,3-bis[(2-chloro-5-nitro-phenyl)-phenyl-methyl]imidazol-1-ium Formula: C29H21Cl2N4O4+ MolecularWeight: 560.40744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N3C=C[N+](=C3)C(C4=CC=CC=C4)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N3C=C[N+](=C3)C(C4=CC=CC=C4)C5=C(C=CC(=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C29H21Cl2N4O4/c30-26-13-11-22(34(36)37)17-24(26)28(20-7-3-1-4-8-20)32-15-16-33(19-32)29(21-9-5-2-6-10-21)25-18-23(35(38)39)12-14-27(25)31/h1-19,28-29H/q+1