carbon monoxide; diphenylphosphanylmethyl(diphenyl)phosphane; iridium; tris(fluoranyl)methanesulfonate

Systemtic Name: carbon monoxide; diphenylphosphanylmethyl(diphenyl)phosphane; iridium; tris(fluoranyl)methanesulfonate Openeye Name: carbon monoxide; diphenylphosphanylmethyl(diphenyl)phosphane; iridium; trifluoromethanesulfonate CAS Name: carbon monoxide; diphenylphosphinomethyl(diphenyl)phosphine; iridium; trifluoromethanesulfonate IUPAC Name: carbon monoxide; diphenylphosphanylmethyl(diphenyl)phosphane; iridium; trifluoromethanesulfonate Traditional Name: carbon monoxide; diphenylphosphinomethyl(diphenyl)phosphine; iridium; ditriflate Formula: C57H44F6Ir2O11P4S2-2 MolecularWeight: 1591.402123

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ir].[Ir]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ir].[Ir]

InChI

InChI=1S/2C25H22P2.2CHF3O3S.5CO.2Ir/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*2-1(3,4)8(5,6)7;5*1-2;;/h2*1-20H,21H2;2*(H,5,6,7);;;;;;;/p-2