ethanenitrile; (Z)-4-oxidanylidenepent-2-en-2-olate; ruthenium(3+); hexafluorophosphate

Systemtic Name: ethanenitrile; (Z)-4-oxidanylidenepent-2-en-2-olate; ruthenium(3+); hexafluorophosphate Openeye Name: acetonitrile; (Z)-4-oxopent-2-en-2-olate; ruthenium(3+); hexafluorophosphate CAS Name: acetonitrile; (Z)-4-oxo-2-penten-2-olate; ruthenium(3+); hexafluorophosphate IUPAC Name: acetonitrile; (Z)-4-oxopent-2-en-2-olate; ruthenium(3+); hexafluorophosphate Traditional Name: acetonitrile; (Z)-4-ketopent-2-en-2-olate; ruthenium(3+); hexafluorophosphate Formula: C14H20F6N2O4PRu MolecularWeight: 526.35378

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].F[P-](F)(F)(F)(F)F.[Ru+3]

Isomeric SMILES

CC#N.CC#N.C/C(=C/C(=O)C)/[O-].C/C(=C/C(=O)C)/[O-].F[P-](F)(F)(F)(F)F.[Ru+3]

InChI

InChI=1S/2C5H8O2.2C2H3N.F6P.Ru/c2*1-4(6)3-5(2)7;2*1-2-3;1-7(2,3,4,5)6;/h2*3,6H,1-2H3;2*1H3;;/q;;;;-1;+3/p-2/b2*4-3-;;;;