ethanenitrile; ethyl 2,4-dimethylcyclopentane-1-carboxylate; ruthenium(2+); hexafluorophosphate

Systemtic Name: ethanenitrile; ethyl 2,4-dimethylcyclopentane-1-carboxylate; ruthenium(2+); hexafluorophosphate Openeye Name: acetonitrile; ethyl 2,4-dimethylcyclopentanecarboxylate; ruthenium(2+); hexafluorophosphate CAS Name: acetonitrile; 2,4-dimethyl-1-cyclopentanecarboxylic acid ethyl ester; ruthenium(2+); hexafluorophosphate IUPAC Name: acetonitrile; ethyl 2,4-dimethylcyclopentane-1-carboxylate; ruthenium(2+); hexafluorophosphate Traditional Name: acetonitrile; 2,4-dimethylcyclopentanecarboxylic acid ethyl ester; ruthenium(2+); hexafluorophosphate Formula: C16H22F6N3O2PRu+ MolecularWeight: 534.39896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[C]1[CH][C]([CH][C]1C)C.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.[Ru+2]

Isomeric SMILES

CCOC(=O)[C]1[CH][C]([CH][C]1C)C.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.[Ru+2]

InChI

InChI=1S/C10H13O2.3C2H3N.F6P.Ru/c1-4-12-10(11)9-6-7(2)5-8(9)3;3*1-2-3;1-7(2,3,4,5)6;/h5-6H,4H2,1-3H3;3*1H3;;/q;;;;-1;+2