benzenecarbonitrile; molybdenum(2+); tetratetrafluoroborate

Systemtic Name: benzenecarbonitrile; molybdenum(2+); tetratetrafluoroborate Openeye Name: benzonitrile; molybdenum(2+); tetratetrafluoroborate CAS Name: benzonitrile; molybdenum(2+); tetratetrafluoroborate IUPAC Name: benzonitrile; molybdenum(2+); tetratetrafluoroborate Traditional Name: benzonitrile; molybdenum(2+); tetratetrafluoroborate Formula: C63H45B4F16Mo2N9 MolecularWeight: 1467.190151

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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.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.[Mo+2].[Mo+2]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.[B-](F)(F)(F)F.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.C1=CC=C(C=C1)C#N.[Mo+2].[Mo+2]

InChI

InChI=1S/9C7H5N.4BF4.2Mo/c9*8-6-7-4-2-1-3-5-7;4*2-1(3,4)5;;/h9*1-5H;;;;;;/q;;;;;;;;;4*-1;2*+2