[(1S)-2-cyclopentyl-1-phenyl-ethyl]-diphenyl-phosphane; ethanenitrile; ruthenium(2+); tetrafluoroborate

Systemtic Name: [(1S)-2-cyclopentyl-1-phenyl-ethyl]-diphenyl-phosphane; ethanenitrile; ruthenium(2+); tetrafluoroborate Openeye Name: acetonitrile; [(1S)-2-cyclopentyl-1-phenyl-ethyl]-diphenyl-phosphane; ruthenium(2+); tetrafluoroborate CAS Name: acetonitrile; [(1S)-2-cyclopentyl-1-phenylethyl]-diphenylphosphine; ruthenium(2+); tetrafluoroborate IUPAC Name: acetonitrile; [(1S)-2-cyclopentyl-1-phenylethyl]-diphenylphosphane; ruthenium(2+); tetrafluoroborate Traditional Name: acetonitrile; [(1S)-2-cyclopentyl-1-phenyl-ethyl]-diphenyl-phosphine; ruthenium(2+); tetrafluoroborate Formula: C29H28BF4N2PRu+ MolecularWeight: 623.394394

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC#N.CC#N.C1=CC=C(C=C1)C(C[C]2[CH][CH][CH][CH]2)P(C3=CC=CC=C3)C4=CC=CC=C4.[Ru+2]

Isomeric SMILES

[B-](F)(F)(F)F.CC#N.CC#N.C1=CC=C(C=C1)[C@H](C[C]2[CH][CH][CH][CH]2)P(C3=CC=CC=C3)C4=CC=CC=C4.[Ru+2]

InChI

InChI=1S/C25H22P.2C2H3N.BF4.Ru/c1-4-14-22(15-5-1)25(20-21-12-10-11-13-21)26(23-16-6-2-7-17-23)24-18-8-3-9-19-24;2*1-2-3;2-1(3,4)5;/h1-19,25H,20H2;2*1H3;;/q;;;-1;+2/t25-;;;;/m0..../s1