carbon monoxide; ethanenitrile; 2-methyl-1,8-naphthyridine; ruthenium(1+); ditetrafluoroborate

Systemtic Name: carbon monoxide; ethanenitrile; 2-methyl-1,8-naphthyridine; ruthenium(1+); ditetrafluoroborate Openeye Name: acetonitrile; carbon monoxide; 2-methyl-1,8-naphthyridine; ruthenium(1+); ditetrafluoroborate CAS Name: acetonitrile; carbon monoxide; 2-methyl-1,8-naphthyridine; ruthenium(1+); ditetrafluoroborate IUPAC Name: acetonitrile; carbon monoxide; 2-methyl-1,8-naphthyridine; ruthenium(1+); ditetrafluoroborate Traditional Name: acetonitrile; carbon monoxide; 2-methyl-1,8-naphthyridine; ruthenium(1+); ditetrafluoroborate Formula: C26H22B2F8N6O4Ru2 MolecularWeight: 858.239906

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CC1=NC2=C(C=CC=N2)C=C1.CC1=NC2=C(C=CC=N2)C=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru+].[Ru+]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CC1=NC2=C(C=CC=N2)C=C1.CC1=NC2=C(C=CC=N2)C=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ru+].[Ru+]

InChI

InChI=1S/2C9H8N2.2C2H3N.4CO.2BF4.2Ru/c2*1-7-4-5-8-3-2-6-10-9(8)11-7;2*1-2-3;4*1-2;2*2-1(3,4)5;;/h2*2-6H,1H3;2*1H3;;;;;;;;/q;;;;;;;;2*-1;2*+1