bis[3,5-di(propan-2-yl)pyrazol-1-yl]-(3-ethanoyl-5-propan-2-yl-pyrazol-1-yl)boron(1-); [(E)-2-diphenylphosphanylethenyl]-diphenyl-phosphane; ruthenium(2+); tris(fluoranyl)methanesulfonate

Systemtic Name: bis[3,5-di(propan-2-yl)pyrazol-1-yl]-(3-ethanoyl-5-propan-2-yl-pyrazol-1-yl)boron(1-); [(E)-2-diphenylphosphanylethenyl]-diphenyl-phosphane; ruthenium(2+); tris(fluoranyl)methanesulfonate Openeye Name: (3-acetyl-5-isopropyl-pyrazol-1-yl)-bis(3,5-diisopropylpyrazol-1-yl)boron(1-); [(E)-2-diphenylphosphanylvinyl]-diphenyl-phosphane; ruthenium(2+); trifluoromethanesulfonate CAS Name: (3-acetyl-5-propan-2-yl-1-pyrazolyl)-bis[3,5-di(propan-2-yl)-1-pyrazolyl]boron(1-); [(E)-2-diphenylphosphinoethenyl]-diphenylphosphine; ruthenium(2+); trifluoromethanesulfonate IUPAC Name: (3-acetyl-5-propan-2-ylpyrazol-1-yl)-bis[3,5-di(propan-2-yl)pyrazol-1-yl]boron(1-); [(E)-2-diphenylphosphanylethenyl]-diphenylphosphane; ruthenium(2+); trifluoromethanesulfonate Traditional Name: (3-acetyl-5-isopropyl-pyrazol-1-yl)-bis(3,5-diisopropylpyrazol-1-yl)boron(1-); [(E)-2-diphenylphosphinovinyl]-diphenyl-phosphine; ruthenium(2+); triflate Formula: C53H63BF3N6O4P2RuS MolecularWeight: 1110.993852

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Descriptors Computed from Structure

Canonical SMILES:

[B-](N1C(=CC(=N1)C(C)C)C(C)C)(N2C(=CC(=N2)C(C)C)C(C)C)N3C(=CC(=N3)C(=O)C)C(C)C.C1=CC=C(C=C1)P(C=CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-].[Ru+2]

Isomeric SMILES

[B-](N1C(=CC(=N1)C(C)C)C(C)C)(N2C(=CC(=N2)C(C)C)C(C)C)N3C(=CC(=N3)C(=O)C)C(C)C.C1=CC=C(C=C1)P(/C=C/P(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-].[Ru+2]

InChI

InChI=1S/C26H41BN6O.C26H22P2.CHF3O3S.Ru/c1-15(2)21-12-24(17(5)6)31(28-21)27(32-25(18(7)8)13-22(29-32)16(3)4)33-26(19(9)10)14-23(30-33)20(11)34;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2-1(3,4)8(5,6)7;/h12-19H,1-11H3;1-22H;(H,5,6,7);/q-1;;;+2/p-1/b;22-21+;;