iridium(3+); methanal; methanesulfonate; tris(2-diphenylphosphanylethyl)-methyl-phosphanium

Systemtic Name: iridium(3+); methanal; methanesulfonate; tris(2-diphenylphosphanylethyl)-methyl-phosphanium Openeye Name: formaldehyde; iridium(3+); methanesulfonate; tris(2-diphenylphosphanylethyl)-methyl-phosphonium CAS Name: formaldehyde; iridium(3+); methanesulfonate; tris(2-diphenylphosphinoethyl)-methylphosphonium IUPAC Name: formaldehyde; iridium(3+); methanesulfonate; tris(2-diphenylphosphanylethyl)-methylphosphanium Traditional Name: formaldehyde; iridium(3+); tris(2-diphenylphosphinoethyl)-methyl-phosphonium; mesylate Formula: C52H64IrO11P4S+3 MolecularWeight: 1213.235004

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Descriptors Computed from Structure

Canonical SMILES:

C[P+](CCP(C1=CC=CC=C1)C2=CC=CC=C2)(CCP(C3=CC=CC=C3)C4=CC=CC=C4)CCP(C5=CC=CC=C5)C6=CC=CC=C6.CS(=O)(=O)[O-].C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.[Ir+3]

Isomeric SMILES

C[P+](CCP(C1=CC=CC=C1)C2=CC=CC=C2)(CCP(C3=CC=CC=C3)C4=CC=CC=C4)CCP(C5=CC=CC=C5)C6=CC=CC=C6.CS(=O)(=O)[O-].C=O.C=O.C=O.C=O.C=O.C=O.C=O.C=O.[Ir+3]

InChI

InChI=1S/C43H45P4.CH4O3S.8CH2O.Ir/c1-47(35-32-44(38-20-8-2-9-21-38)39-22-10-3-11-23-39,36-33-45(40-24-12-4-13-25-40)41-26-14-5-15-27-41)37-34-46(42-28-16-6-17-29-42)43-30-18-7-19-31-43;1-5(2,3)4;8*1-2;/h2-31H,32-37H2,1H3;1H3,(H,2,3,4);8*1H2;/q+1;;;;;;;;;;+3/p-1