2,7-di(methyl)octane; ethanenitrile; ruthenium(2+); ditetrafluoroborate

Systemtic Name: 2,7-di(methyl)octane; ethanenitrile; ruthenium(2+); ditetrafluoroborate Openeye Name: acetonitrile; 2,7-di(methyl)octane; ruthenium(2+); ditetrafluoroborate CAS Name: acetonitrile; 2,7-di(methyl)octane; ruthenium(2+); ditetrafluoroborate IUPAC Name: acetonitrile; 2,7-di(methyl)octane; ruthenium(2+); ditetrafluoroborate Traditional Name: acetonitrile; 2,7-di(methyl)octane; ruthenium(2+); ditetrafluoroborate Formula: C16H25B2F8N3Ru MolecularWeight: 534.069026

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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.C[C]([CH2])[CH]CC[CH][C](C)[CH2].[Ru+2]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC#N.CC#N.CC#N.C[C]([CH2])[CH]CC[CH][C](C)[CH2].[Ru+2]

InChI

InChI=1S/C10H16.3C2H3N.2BF4.Ru/c1-9(2)7-5-6-8-10(3)4;3*1-2-3;2*2-1(3,4)5;/h7-8H,1,3,5-6H2,2,4H3;3*1H3;;;/q;;;;2*-1;+2