4-diphenylphosphanylbenzoic acid; palladium(2+); chloride

Systemtic Name: 4-diphenylphosphanylbenzoic acid; palladium(2+); chloride Openeye Name: 4-diphenylphosphanylbenzoic acid; palladium(2+); chloride CAS Name: 4-diphenylphosphinobenzoic acid; palladium(2+); chloride IUPAC Name: 4-diphenylphosphanylbenzoic acid; palladium(2+); chloride Traditional Name: 4-diphenylphosphinobenzoic acid; palladium(2+); chloride Formula: C38H30ClO4P2Pd2+3 MolecularWeight: 860.882922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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