Synonyms
Trisodium 3,3',3''-Phosphinetriyltribenzenesulfonate; Triphenylphosphine-3,3',3''-trisulfonic acid trisodium salt, >=95.0%; Triphenylphosphine-3,3 ,3 -trisulfonic acid trisodium salt; BCP20106; I06-1918; AX8155820; Trisodium 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; Sodium 3,3',3''-phosphinetriyltribenzenesulfonate; 3,3',3''-phoshinidynetris(benzenesulfonic acid)trisodium salt; AB0051283;
IUPAC Name
trisodium;3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate;
Molecular Weight
568.408g/mol
Molecular Formula
C18H12Na3O9PS3;
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-].[Na+].[Na+].[Na+];
InChI
InChI=1S/C18H15O9PS3.3Na/c19-29(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;;;/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;/q;3*+1/p-3;
InChI Key
MYAJTCUQMQREFZ-UHFFFAOYSA-K;
Complexity
768
Covalently-Bonded Unit Count
4
EC Number
264-596-6
Exact Mass
567.907g/mol
H-Bond Acceptor
9
Heavy Atom Count
34
Monoisotopic Mass
567.907g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
197A^2
