dimethyl 2-ethanoylbut-2-enedioate; N-(2-diphenylphosphanylphenyl)-1-phenyl-methanimine; palladium(2+); tetrafluoroborate

Systemtic Name: dimethyl 2-ethanoylbut-2-enedioate; N-(2-diphenylphosphanylphenyl)-1-phenyl-methanimine; palladium(2+); tetrafluoroborate Openeye Name: dimethyl 2-acetylbut-2-enedioate; N-(2-diphenylphosphanylphenyl)-1-phenyl-methanimine; palladium(2+); tetrafluoroborate CAS Name: 2-acetyl-2-butenedioic acid dimethyl ester; N-(2-diphenylphosphinophenyl)-1-phenylmethanimine; palladium(2+); tetrafluoroborate IUPAC Name: dimethyl 2-acetylbut-2-enedioate; N-(2-diphenylphosphanylphenyl)-1-phenylmethanimine; palladium(2+); tetrafluoroborate Traditional Name: 2-acetylbut-2-enedioic acid dimethyl ester; benzal-(2-diphenylphosphinophenyl)amine; palladium(2+); tetrafluoroborate Formula: C33H29BF4NO5PPd MolecularWeight: 743.785434

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(=O)C(=[C-]C(=O)OC)C(=O)OC.C1=CC=C(C=C1)C=NC2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4.[Pd+2]

Isomeric SMILES

[B-](F)(F)(F)F.CC(=O)C(=[C-]C(=O)OC)C(=O)OC.C1=CC=C(C=C1)C=NC2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4.[Pd+2]

InChI

InChI=1S/C25H20NP.C8H9O5.BF4.Pd/c1-4-12-21(13-5-1)20-26-24-18-10-11-19-25(24)27(22-14-6-2-7-15-22)23-16-8-3-9-17-23;1-5(9)6(8(11)13-3)4-7(10)12-2;2-1(3,4)5;/h1-20H;1-3H3;;/q;2*-1;+2