2-diphenylphosphanylethyl(diphenyl)phosphane; iridium(3+); methanal; chloride

Systemtic Name: 2-diphenylphosphanylethyl(diphenyl)phosphane; iridium(3+); methanal; chloride Openeye Name: 2-diphenylphosphanylethyl(diphenyl)phosphane; formaldehyde; iridium(3+); chloride CAS Name: 2-diphenylphosphinoethyl(diphenyl)phosphine; formaldehyde; iridium(3+); chloride IUPAC Name: 2-diphenylphosphanylethyl(diphenyl)phosphane; formaldehyde; iridium(3+); chloride Traditional Name: 2-diphenylphosphinoethyl(diphenyl)phosphine; formaldehyde; iridium(3+); chloride Formula: C53H50ClIrOP4+2 MolecularWeight: 1054.528544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C26H24P2.CH2O.ClH.Ir/c2*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;1-2;;/h2*1-20H,21-22H2;1H2;1H;/q;;;;+3/p-1