bis(2-diphenylphosphanylethyl)-phenyl-phosphane; ethanenitrile; ruthenium(2+); tris(fluoranyl)methanesulfonate

Systemtic Name: bis(2-diphenylphosphanylethyl)-phenyl-phosphane; ethanenitrile; ruthenium(2+); tris(fluoranyl)methanesulfonate Openeye Name: acetonitrile; bis(2-diphenylphosphanylethyl)-phenyl-phosphane; ruthenium(2+); trifluoromethanesulfonate CAS Name: acetonitrile; bis(2-diphenylphosphinoethyl)-phenylphosphine; ruthenium(2+); trifluoromethanesulfonate IUPAC Name: acetonitrile; bis(2-diphenylphosphanylethyl)-phenylphosphane; ruthenium(2+); trifluoromethanesulfonate Traditional Name: acetonitrile; bis(2-diphenylphosphinoethyl)-phenyl-phosphine; ruthenium(2+); ditriflate Formula: C42H42F6N3O6P3RuS2 MolecularWeight: 1056.911082

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.CC#N.CC#N.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ru+2]

Isomeric SMILES

CC#N.CC#N.CC#N.C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCP(C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ru+2]

InChI

InChI=1S/C34H33P3.3C2H3N.2CHF3O3S.Ru/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34;3*1-2-3;2*2-1(3,4)8(5,6)7;/h1-25H,26-29H2;3*1H3;2*(H,5,6,7);/q;;;;;;+2/p-2