Synonyms
308103-66-4;4,4-(Phenylphosphinidene)bis(benzenesulfonic acid) dipotassium salt hydrate;4,4 inverted exclamation marka-(Phenylphosphinidene)bis(benzenesulfonic acid) dipotassium salt hydrate;
IUPAC Name
dipotassium;4-[phenyl-(4-sulfonatophenyl)phosphanyl]benzenesulfonate;hydrate;
Molecular Weight
516.601g/mol
Molecular Formula
C18H15K2O7PS2;
Canonical SMILES
C1=CC=C(C=C1)P(C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].O.[K+].[K+];
InChI
InChI=1S/C18H15O6PS2.2K.H₂O/c19-26(20,21)17-10-6-15(7-11-17)25(14-4-2-1-3-5-14)16-8-12-18(13-9-16)27(22,23)24;;;/h1-13H,(H,19,20,21)(H,22,23,24);;;1H2/q;2*+1;/p-2;
InChI Key
PRAGZPSLQQRHKD-UHFFFAOYSA-L;
Complexity
596
Covalently-Bonded Unit Count
4
Exact Mass
515.927g/mol
H-Bond Acceptor
7
H-Bond Donor
1
Heavy Atom Count
30
Monoisotopic Mass
515.927g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
132A^2
