bromanylbenzene; ditert-butyl-[[6-(ditert-butylphosphanylmethyl)pyridin-2-yl]methyl]phosphane; iridium; hexafluorophosphate

Systemtic Name: bromanylbenzene; ditert-butyl-[[6-(ditert-butylphosphanylmethyl)pyridin-2-yl]methyl]phosphane; iridium; hexafluorophosphate Openeye Name: bromobenzene; ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridyl]methyl]phosphane; iridium; hexafluorophosphate CAS Name: bromobenzene; ditert-butyl-[[6-(ditert-butylphosphinomethyl)-2-pyridinyl]methyl]phosphine; iridium; hexafluorophosphate IUPAC Name: bromobenzene; ditert-butyl-[[6-(ditert-butylphosphanylmethyl)pyridin-2-yl]methyl]phosphane; iridium; hexafluorophosphate Traditional Name: bromobenzene; ditert-butyl-[[6-(ditert-butylphosphinomethyl)-2-pyridyl]methyl]phosphine; iridium; hexafluorophosphate Formula: C29H47BrF6IrNP3-2 MolecularWeight: 888.722882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(CC1=NC(=CC=C1)CP(C(C)(C)C)C(C)(C)C)C(C)(C)C.C1=CC=C([C-]=C1)Br.F[P-](F)(F)(F)(F)F.[Ir]

Isomeric SMILES

CC(C)(C)P(CC1=NC(=CC=C1)CP(C(C)(C)C)C(C)(C)C)C(C)(C)C.C1=CC=C([C-]=C1)Br.F[P-](F)(F)(F)(F)F.[Ir]

InChI

InChI=1S/C23H43NP2.C6H4Br.F6P.Ir/c1-20(2,3)25(21(4,5)6)16-18-14-13-15-19(24-18)17-26(22(7,8)9)23(10,11)12;7-6-4-2-1-3-5-6;1-7(2,3,4,5)6;/h13-15H,16-17H2,1-12H3;1-4H;;/q;2*-1;