CAS
17625-03-5 Purity
97%
17625-03-5 Purity
97%
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Tris(3,3',3″-phosphinidynetris(benzenesulfonato)palladium(0) nonasodium salt nonahydrate
CAS
176483-72-0
Catalog Number
ACM176483720
Category
Other Products
Molecular Weight
1973.779g/mol
Molecular Formula
C54H54Na9O36P3PdS9;
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Specification
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;
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
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