ditert-butyl-(2-phenylphenyl)phosphane; palladium(2+); diethanoate

Systemtic Name: ditert-butyl-(2-phenylphenyl)phosphane; palladium(2+); diethanoate Openeye Name: ditert-butyl-(2-phenylphenyl)phosphane; palladium(2+); diacetate CAS Name: ditert-butyl-(2-phenylphenyl)phosphine; palladium(2+); diacetate IUPAC Name: ditert-butyl-(2-phenylphenyl)phosphane; palladium(2+); diacetate Traditional Name: ditert-butyl-(2-phenylphenyl)phosphine; palladium(2+); diacetate Formula: C84H114O4P4Pd MolecularWeight: 1418.116604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C.CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C.CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C.CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C.[Pd+2]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C.CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C.CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C.CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C.[Pd+2]

InChI

InChI=1S/4C20H27P.2C2H4O2.Pd/c4*1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16;2*1-2(3)4;/h4*7-15H,1-6H3;2*1H3,(H,3,4);/q;;;;;;+2/p-2