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

Systemtic Name: cyclohexyl 2,4-dimethylcyclopentane-1-carboxylate; ethanenitrile; ruthenium(2+); hexafluorophosphate Openeye Name: acetonitrile; cyclohexyl 2,4-dimethylcyclopentanecarboxylate; ruthenium(2+); hexafluorophosphate CAS Name: acetonitrile; 2,4-dimethyl-1-cyclopentanecarboxylic acid cyclohexyl ester; ruthenium(2+); hexafluorophosphate IUPAC Name: acetonitrile; cyclohexyl 2,4-dimethylcyclopentane-1-carboxylate; ruthenium(2+); hexafluorophosphate Traditional Name: acetonitrile; 2,4-dimethylcyclopentanecarboxylic acid cyclohexyl ester; ruthenium(2+); hexafluorophosphate Formula: C20H28F6N3O2PRu+ MolecularWeight: 588.4894

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.CC#N.C[C]1[CH][C]([C]([CH]1)C(=O)OC2CCCCC2)C.F[P-](F)(F)(F)(F)F.[Ru+2]

Isomeric SMILES

CC#N.CC#N.CC#N.C[C]1[CH][C]([C]([CH]1)C(=O)OC2CCCCC2)C.F[P-](F)(F)(F)(F)F.[Ru+2]

InChI

InChI=1S/C14H19O2.3C2H3N.F6P.Ru/c1-10-8-11(2)13(9-10)14(15)16-12-6-4-3-5-7-12;3*1-2-3;1-7(2,3,4,5)6;/h8-9,12H,3-7H2,1-2H3;3*1H3;;/q;;;;-1;+2