oxidanium; diphenylphosphaniumylmethyl(diphenyl)phosphanium; ruthenium(2+); tris(fluoranyl)methanesulfonate

Systemtic Name: oxidanium; diphenylphosphaniumylmethyl(diphenyl)phosphanium; ruthenium(2+); tris(fluoranyl)methanesulfonate Openeye Name: oxonium; diphenylphosphaniumylmethyl(diphenyl)phosphonium; ruthenium(2+); trifluoromethanesulfonate CAS Name: oxonium; diphenylphosphiniumylmethyl(diphenyl)phosphonium; ruthenium(2+); trifluoromethanesulfonate IUPAC Name: oxidanium; diphenylphosphaniumylmethyl(diphenyl)phosphanium; ruthenium(2+); trifluoromethanesulfonate Traditional Name: oxonium; diphenylphosphiniumylmethyl(diphenyl)phosphonium; ruthenium(2+); triflate Formula: C51H51F3O4P4RuS+6 MolecularWeight: 1041.973494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[PH+](C[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](C[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-].[OH3+].[Ru+2]

Isomeric SMILES

C1=CC=C(C=C1)[PH+](C[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[PH+](C[PH+](C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-].[OH3+].[Ru+2]

InChI

InChI=1S/2C25H22P2.CHF3O3S.H2O.Ru/c2*1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;2-1(3,4)8(5,6)7;;/h2*1-20H,21H2;(H,5,6,7);1H2;/q;;;;+2/p+4