1,3-bis[2,6-di(propan-2-yl)phenyl]imidazole; cyclopentane; ethanenitrile; ruthenium(2+); hexafluorophosphate

Systemtic Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazole; cyclopentane; ethanenitrile; ruthenium(2+); hexafluorophosphate Openeye Name: acetonitrile; 1,3-bis(2,6-diisopropylphenyl)imidazole; cyclopentane; ruthenium(2+); hexafluorophosphate CAS Name: acetonitrile; 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazole; cyclopentane; ruthenium(2+); hexafluorophosphate IUPAC Name: acetonitrile; 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazole; cyclopentane; ruthenium(2+); hexafluorophosphate Traditional Name: acetonitrile; 1,3-bis(2,6-diisopropylphenyl)imidazole; cyclopentane; ruthenium(2+); hexafluorophosphate Formula: C36H47F6N4PRu+ MolecularWeight: 781.81936

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN([C]2)C3=C(C=CC=C3C(C)C)C(C)C.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Ru+2]

Isomeric SMILES

CC#N.CC#N.CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CN([C]2)C3=C(C=CC=C3C(C)C)C(C)C.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Ru+2]

InChI

InChI=1S/C27H36N2.C5H5.2C2H3N.F6P.Ru/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-2-4-5-3-1;2*1-2-3;1-7(2,3,4,5)6;/h9-16,18-21H,1-8H3;1-5H;2*1H3;;/q;;;;-1;+2