carbon monoxide; ethanenitrile; ruthenium(1+); triphenylphosphane; ditetrafluoroborate

Systemtic Name: carbon monoxide; ethanenitrile; ruthenium(1+); triphenylphosphane; ditetrafluoroborate Openeye Name: acetonitrile; carbon monoxide; ruthenium(1+); triphenylphosphane; ditetrafluoroborate CAS Name: acetonitrile; carbon monoxide; ruthenium(1+); triphenylphosphine; ditetrafluoroborate IUPAC Name: acetonitrile; carbon monoxide; ruthenium(1+); triphenylphosphane; ditetrafluoroborate Traditional Name: acetonitrile; carbon monoxide; ruthenium(1+); triphenylphosphine; ditetrafluoroborate Formula: C48H42B2F8N4O4P2Ru2 MolecularWeight: 1176.568228

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CC#N.CC#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ru+].[Ru+]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CC#N.CC#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Ru+].[Ru+]

InChI

InChI=1S/2C18H15P.4C2H3N.4CO.2BF4.2Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*1-2-3;4*1-2;2*2-1(3,4)5;;/h2*1-15H;4*1H3;;;;;;;;/q;;;;;;;;;;2*-1;2*+1