3,5-bis(diphenylphosphanyl)pentanoate; palladium(2+)

Systemtic Name: 3,5-bis(diphenylphosphanyl)pentanoate; palladium(2+) Openeye Name: 3,5-bis(diphenylphosphanyl)pentanoate; palladium(2+) CAS Name: 3,5-bis(diphenylphosphino)pentanoate; palladium(2+) IUPAC Name: 3,5-bis(diphenylphosphanyl)pentanoate; palladium(2+) Traditional Name: 3,5-bis(diphenylphosphino)valerate; palladium(2+) Formula: C58H54O4P4Pd MolecularWeight: 1045.362004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(CCC(CC(=O)[O-])P(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCC(CC(=O)[O-])P(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Pd+2]

Isomeric SMILES

C1=CC=C(C=C1)P(CCC(CC(=O)[O-])P(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CCC(CC(=O)[O-])P(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Pd+2]

InChI

InChI=1S/2C29H28O2P2.Pd/c2*30-29(31)23-28(33(26-17-9-3-10-18-26)27-19-11-4-12-20-27)21-22-32(24-13-5-1-6-14-24)25-15-7-2-8-16-25;/h2*1-20,28H,21-23H2,(H,30,31);/q;;+2/p-2