cyclopentane; 1,3-dimethyl-5,6-dihydro-4H-pentalen-2-one; ethanenitrile; ruthenium(1+); hexafluorophosphate

Systemtic Name: cyclopentane; 1,3-dimethyl-5,6-dihydro-4H-pentalen-2-one; ethanenitrile; ruthenium(1+); hexafluorophosphate Openeye Name: acetonitrile; cyclopentane; 1,3-dimethyl-5,6-dihydro-4H-pentalen-2-one; ruthenium(1+); hexafluorophosphate CAS Name: acetonitrile; cyclopentane; 1,3-dimethyl-5,6-dihydro-4H-pentalen-2-one; ruthenium(1+); hexafluorophosphate IUPAC Name: acetonitrile; cyclopentane; 1,3-dimethyl-5,6-dihydro-4H-pentalen-2-one; ruthenium(1+); hexafluorophosphate Traditional Name: acetonitrile; cyclopentane; 1,3-dimethyl-5,6-dihydro-4H-pentalen-2-one; ruthenium(1+); hexafluorophosphate Formula: C17H20F6NOPRu MolecularWeight: 500.38098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC1=C2CCCC2=C(C1=O)C.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Ru+]

Isomeric SMILES

CC#N.CC1=C2CCCC2=C(C1=O)C.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Ru+]

InChI

InChI=1S/C10H12O.C5H5.C2H3N.F6P.Ru/c1-6-8-4-3-5-9(8)7(2)10(6)11;1-2-4-5-3-1;1-2-3;1-7(2,3,4,5)6;/h3-5H2,1-2H3;1-5H;1H3;;/q;;;-1;+1