2-diphenylphosphanylbenzoic acid; (Z)-4-oxidanylidenepent-2-en-2-olate; palladium(2+); tetrafluoroborate

Systemtic Name: 2-diphenylphosphanylbenzoic acid; (Z)-4-oxidanylidenepent-2-en-2-olate; palladium(2+); tetrafluoroborate Openeye Name: 2-diphenylphosphanylbenzoic acid; (Z)-4-oxopent-2-en-2-olate; palladium(2+); tetrafluoroborate CAS Name: 2-diphenylphosphinobenzoic acid; (Z)-4-oxo-2-penten-2-olate; palladium(2+); tetrafluoroborate IUPAC Name: 2-diphenylphosphanylbenzoic acid; (Z)-4-oxopent-2-en-2-olate; palladium(2+); tetrafluoroborate Traditional Name: 2-diphenylphosphinobenzoic acid; (Z)-4-ketopent-2-en-2-olate; palladium(2+); tetrafluoroborate Formula: C43H37BF4O6P2Pd MolecularWeight: 904.922415

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(=CC(=O)C)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O.[Pd+2]

Isomeric SMILES

[B-](F)(F)(F)F.C/C(=C/C(=O)C)/[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O.[Pd+2]

InChI

InChI=1S/2C19H15O2P.C5H8O2.BF4.Pd/c2*20-19(21)17-13-7-8-14-18(17)22(15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-4(6)3-5(2)7;2-1(3,4)5;/h2*1-14H,(H,20,21);3,6H,1-2H3;;/q;;;-1;+2/p-1/b;;4-3-;;