carbon monoxide; ethanenitrile; ruthenium(1+); tricyclohexylphosphane; tetrafluoroborate

Systemtic Name: carbon monoxide; ethanenitrile; ruthenium(1+); tricyclohexylphosphane; tetrafluoroborate Openeye Name: acetonitrile; carbon monoxide; ruthenium(1+); tricyclohexylphosphane; tetrafluoroborate CAS Name: acetonitrile; carbon monoxide; ruthenium(1+); tricyclohexylphosphine; tetrafluoroborate IUPAC Name: acetonitrile; carbon monoxide; ruthenium(1+); tricyclohexylphosphane; tetrafluoroborate Traditional Name: acetonitrile; carbon monoxide; ruthenium(1+); tricyclohexylphosphine; tetrafluoroborate Formula: C41H72BF4N2OP2Ru MolecularWeight: 858.845315

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC#N.CC#N.[C-]#[O+].C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.[Ru+]

Isomeric SMILES

[B-](F)(F)(F)F.CC#N.CC#N.[C-]#[O+].C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3.[Ru+]

InChI

InChI=1S/2C18H33P.2C2H3N.CO.BF4.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-3;1-2;2-1(3,4)5;/h2*16-18H,1-15H2;2*1H3;;;/q;;;;;-1;+1