Tris(3,3',3″-phosphinidynetris(benzenesulfonato)palladium(0) nonasodium salt nonahydrate

• Catalog Number: ACM176483720
• Product Name: Tris(3,3',3″-phosphinidynetris(benzenesulfonato)palladium(0) nonasodium salt nonahydrate
• CAS: 176483-72-0
• Category: Heterocyclic Organic Compound
• Synonyms: Sodium 3,3',3''-phosphanetriyltri(benzene-1-sulfonate)--palladium--water (9/3/1/9); DTXSID60584290; Tris(3 3 3-phosphinidynetris(benzenes&; Tris(3,3',3"-phosphinidynetris(benzenesulfonato)palladium(0) nonasodium salt nonahydrate; Tris(3,3 inverted exclamation marka,3 inverted exclamation marka-phosphinidynetris(benzenesulfonato)palladium(0) nonasodium salt nonahydrate
• IUPAC Name: nonasodium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate;palladium;nonahydrate
• Molecular Weight: 1973.779g/mol
• Molecular Formula: C54H54Na9O36P3PdS9
• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Pd]
• InChI: InChI=1S/3C18H15O9PS3.9Na.9H₂O.Pd/c3*19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;;;;;;;;;;;;;;;;;;;/h3*1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;;;;;;;;9*1H2;/q;;;9*+1;;;;;;;;;;/p-9
• InChI Key: RZJLWYKBARRAJM-UHFFFAOYSA-E
• Storage: 2-8°C
• Complexity: 768
• Covalently-Bonded Unit Count: 22
• Exact Mass: 1971.721g/mol
• H-Bond Acceptor: 36
• H-Bond Donor: 9
• Heavy Atom Count: 112
• Monoisotopic Mass: 1971.721g/mol
• Rotatable Bond Count: 9
• Topological Polar Surface Area: 599A^2