N4-(2-diphenylphosphorylethyl)-3,3-dimethyl-N2,1-diphenyl-azetidine-2,4-diimine; palladium(2+); diethanoate

Systemtic Name: N4-(2-diphenylphosphorylethyl)-3,3-dimethyl-N2,1-diphenyl-azetidine-2,4-diimine; palladium(2+); diethanoate Openeye Name: N4-(2-diphenylphosphorylethyl)-3,3-dimethyl-N2,1-diphenyl-azetidine-2,4-diimine; palladium(2+); diacetate CAS Name: N4-(2-diphenylphosphorylethyl)-3,3-dimethyl-N2,1-diphenylazetidine-2,4-diimine; palladium(2+); diacetate IUPAC Name: 4-N-(2-diphenylphosphorylethyl)-3,3-dimethyl-2-N,1-diphenylazetidine-2,4-diimine; palladium(2+); diacetate Traditional Name: (3,3-dimethyl-1-phenyl-4-phenylimino-azetidin-2-ylidene)-(2-diphenylphosphorylethyl)amine; palladium(2+); diacetate Formula: C66H64N6O6P2Pd2 MolecularWeight: 1312.038482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].CC1(C(=NCCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)N(C1=NC4=CC=CC=C4)C5=CC=CC=[C-]5)C.CC1(C(=NCCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)N(C1=NC4=CC=CC=C4)C5=CC=CC=[C-]5)C.[Pd+2].[Pd+2]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].CC1(C(=NCCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)N(C1=NC4=CC=CC=C4)C5=CC=CC=[C-]5)C.CC1(C(=NCCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)N(C1=NC4=CC=CC=C4)C5=CC=CC=[C-]5)C.[Pd+2].[Pd+2]

InChI

InChI=1S/2C31H29N3OP.2C2H4O2.2Pd/c2*1-31(2)29(34(26-17-9-4-10-18-26)30(31)33-25-15-7-3-8-16-25)32-23-24-36(35,27-19-11-5-12-20-27)28-21-13-6-14-22-28;2*1-2(3)4;;/h2*3-17,19-22H,23-24H2,1-2H3;2*1H3,(H,3,4);;/q2*-1;;;2*+2/p-2