5-chloranyl-2,6-bis(3-methylimidazol-3-ium-1-yl)pyrimidin-4-olate; tetraphenylboranuide

Systemtic Name: 5-chloranyl-2,6-bis(3-methylimidazol-3-ium-1-yl)pyrimidin-4-olate; tetraphenylboranuide Openeye Name: 5-chloro-2,6-bis(3-methylimidazol-3-ium-1-yl)pyrimidin-4-olate; tetraphenylboranuide CAS Name: 5-chloro-2,6-bis(3-methyl-1-imidazol-3-iumyl)-4-pyrimidinolate; tetraphenylboranuide IUPAC Name: 5-chloro-2,6-bis(3-methylimidazol-3-ium-1-yl)pyrimidin-4-olate; tetraphenylboranuide Traditional Name: 5-chloro-2,6-bis(3-methylimidazol-3-ium-1-yl)pyrimidin-4-olate; tetraphenylboranuide Formula: C36H32BClN6O MolecularWeight: 610.94288

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C[N+]1=CN(C=C1)C2=C(C(=NC(=N2)N3C=C[N+](=C3)C)[O-])Cl

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C[N+]1=CN(C=C1)C2=C(C(=NC(=N2)N3C=C[N+](=C3)C)[O-])Cl

InChI

InChI=1S/C24H20B.C12H12ClN6O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-16-3-5-18(7-16)10-9(13)11(20)15-12(14-10)19-6-4-17(2)8-19/h1-20H;3-8H,1-2H3/q-1;+1