ethanenitrile; 1,8-naphthyridine; rhodium(2+); tetratetrafluoroborate

Systemtic Name: ethanenitrile; 1,8-naphthyridine; rhodium(2+); tetratetrafluoroborate Openeye Name: acetonitrile; 1,8-naphthyridine; rhodium(2+); tetratetrafluoroborate CAS Name: acetonitrile; 1,8-naphthyridine; rhodium(2+); tetratetrafluoroborate IUPAC Name: acetonitrile; 1,8-naphthyridine; rhodium(2+); tetratetrafluoroborate Traditional Name: acetonitrile; 1,8-naphthyridine; rhodium(2+); tetratetrafluoroborate Formula: C36H30B4F16N10Rh2 MolecularWeight: 1155.719851

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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.CC#N.CC#N.C1=CC2=C(N=C1)N=CC=C2.C1=CC2=C(N=C1)N=CC=C2.C1=CC2=C(N=C1)N=CC=C2.C1=CC2=C(N=C1)N=CC=C2.[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.CC#N.CC#N.C1=CC2=C(N=C1)N=CC=C2.C1=CC2=C(N=C1)N=CC=C2.C1=CC2=C(N=C1)N=CC=C2.C1=CC2=C(N=C1)N=CC=C2.[Rh+2].[Rh+2]

InChI

InChI=1S/4C8H6N2.2C2H3N.4BF4.2Rh/c4*1-3-7-4-2-6-10-8(7)9-5-1;2*1-2-3;4*2-1(3,4)5;;/h4*1-6H;2*1H3;;;;;;/q;;;;;;4*-1;2*+2