2-diphenylphosphanylethyl-methyl-diphenyl-phosphanium; methanesulfonate; 3-oxidanylidenebutanoic acid; ruthenium(2+)

Systemtic Name: 2-diphenylphosphanylethyl-methyl-diphenyl-phosphanium; methanesulfonate; 3-oxidanylidenebutanoic acid; ruthenium(2+) Openeye Name: 2-diphenylphosphanylethyl-methyl-diphenyl-phosphonium; methanesulfonate; 3-oxobutanoic acid; ruthenium(2+) CAS Name: 2-diphenylphosphinoethyl-methyl-diphenylphosphonium; methanesulfonate; 3-oxobutanoic acid; ruthenium(2+) IUPAC Name: 2-diphenylphosphanylethyl-methyl-diphenylphosphanium; methanesulfonate; 3-oxobutanoic acid; ruthenium(2+) Traditional Name: acetoacetic acid; 2-diphenylphosphinoethyl-methyl-diphenyl-phosphonium; ruthenium(2+); dimesylate Formula: C64H72O12P4RuS2+2 MolecularWeight: 1322.344324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)O.CC(=O)CC(=O)O.C[P+](CCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C[P+](CCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Ru+2]

Isomeric SMILES

CC(=O)CC(=O)O.CC(=O)CC(=O)O.C[P+](CCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.C[P+](CCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Ru+2]

InChI

InChI=1S/2C27H27P2.2C4H6O3.2CH4O3S.Ru/c2*1-29(26-18-10-4-11-19-26,27-20-12-5-13-21-27)23-22-28(24-14-6-2-7-15-24)25-16-8-3-9-17-25;2*1-3(5)2-4(6)7;2*1-5(2,3)4;/h2*2-21H,22-23H2,1H3;2*2H2,1H3,(H,6,7);2*1H3,(H,2,3,4);/q2*+1;;;;;+2/p-2