3-(3-methylimidazol-3-ium-1-yl)propanoate; rhodium(2+); tetratetrafluoroborate

Systemtic Name: 3-(3-methylimidazol-3-ium-1-yl)propanoate; rhodium(2+); tetratetrafluoroborate Openeye Name: 3-(3-methylimidazol-3-ium-1-yl)propanoate; rhodium(2+); tetratetrafluoroborate CAS Name: 3-(3-methyl-1-imidazol-3-iumyl)propanoate; rhodium(2+); tetratetrafluoroborate IUPAC Name: 3-(3-methylimidazol-3-ium-1-yl)propanoate; rhodium(2+); tetratetrafluoroborate Traditional Name: 3-(3-methylimidazol-3-ium-1-yl)propionate; rhodium(2+); tetratetrafluoroborate Formula: C28H40B4F16N8O8Rh2 MolecularWeight: 1169.695451

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.C[N+]1=CN(C=C1)CCC(=O)[O-].C[N+]1=CN(C=C1)CCC(=O)[O-].C[N+]1=CN(C=C1)CCC(=O)[O-].C[N+]1=CN(C=C1)CCC(=O)[O-].[Rh+2].[Rh+2]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.C[N+]1=CN(C=C1)CCC(=O)[O-].C[N+]1=CN(C=C1)CCC(=O)[O-].C[N+]1=CN(C=C1)CCC(=O)[O-].C[N+]1=CN(C=C1)CCC(=O)[O-].[Rh+2].[Rh+2]

InChI

InChI=1S/4C7H10N2O2.4BF4.2Rh/c4*1-8-4-5-9(6-8)3-2-7(10)11;4*2-1(3,4)5;;/h4*4-6H,2-3H2,1H3;;;;;;/q;;;;4*-1;2*+2