ditert-butyl-[[3-(ditert-butylphosphanylmethyl)benzene-5-id-1-yl]methyl]phosphane; ethynylbenzene; iridium

Systemtic Name: ditert-butyl-[[3-(ditert-butylphosphanylmethyl)benzene-5-id-1-yl]methyl]phosphane; ethynylbenzene; iridium Openeye Name: ditert-butyl-[[3-(ditert-butylphosphanylmethyl)benzene-5-id-1-yl]methyl]phosphane; ethynylbenzene; iridium CAS Name: ditert-butyl-[[3-(ditert-butylphosphinomethyl)-1-benzene-5-idyl]methyl]phosphine; ethynylbenzene; iridium IUPAC Name: ditert-butyl-[[3-(ditert-butylphosphanylmethyl)benzene-5-id-1-yl]methyl]phosphane; ethynylbenzene; iridium Traditional Name: ditert-butyl-[[3-(ditert-butylphosphinomethyl)benzene-5-id-1-yl]methyl]phosphine; ethynylbenzene; iridium Formula: C32H48IrP2-2 MolecularWeight: 686.888042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(CC1=CC(=C[C-]=C1)CP(C(C)(C)C)C(C)(C)C)C(C)(C)C.[C-]#CC1=CC=CC=C1.[Ir]

Isomeric SMILES

CC(C)(C)P(CC1=CC(=C[C-]=C1)CP(C(C)(C)C)C(C)(C)C)C(C)(C)C.[C-]#CC1=CC=CC=C1.[Ir]

InChI

InChI=1S/C24H43P2.C8H5.Ir/c1-21(2,3)25(22(4,5)6)17-19-14-13-15-20(16-19)18-26(23(7,8)9)24(10,11)12;1-2-8-6-4-3-5-7-8;/h14-16H,17-18H2,1-12H3;3-7H;/q2*-1;