ethanoic acid; palladium; phenyl-[phenyl(phenylmethyl)phosphanyl]methanone

Systemtic Name: ethanoic acid; palladium; phenyl-[phenyl(phenylmethyl)phosphanyl]methanone Openeye Name: acetic acid; palladium; phenyl-[phenyl(phenylmethyl)phosphanyl]methanone CAS Name: acetic acid; palladium; phenyl-[phenyl(phenylmethyl)phosphino]methanone IUPAC Name: acetic acid; palladium; phenyl-[phenyl(phenylmethyl)phosphanyl]methanone Traditional Name: acetic acid; [benzyl(phenyl)phosphino]-phenyl-methanone; palladium Formula: C44H40O6P2Pd2-2 MolecularWeight: 939.572322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.C1=CC=C(C=C1)C(=O)P(CC2=CC=CC=[C-]2)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)P(CC2=CC=CC=[C-]2)C3=CC=CC=C3.[Pd].[Pd]

Isomeric SMILES

CC(=O)O.CC(=O)O.C1=CC=C(C=C1)C(=O)P(CC2=CC=CC=[C-]2)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)P(CC2=CC=CC=[C-]2)C3=CC=CC=C3.[Pd].[Pd]

InChI

InChI=1S/2C20H16OP.2C2H4O2.2Pd/c2*21-20(18-12-6-2-7-13-18)22(19-14-8-3-9-15-19)16-17-10-4-1-5-11-17;2*1-2(3)4;;/h2*1-10,12-15H,16H2;2*1H3,(H,3,4);;/q2*-1;;;;