Synonyms
KS-00000V3M; AKOS016012222; Sodium 2 inverted exclamation marka-dicyclohexylphosphino-2,6-dimethoxy-1,1 inverted exclamation marka-biphenyl-3-sulfonate hydrate; Sodium 2'-(dicyclohexylphosphino)-2,6-dimethoxy-[1,1'-biphenyl]-3-sulfonate hydrate; AX8246809; SSPhos; sodium 2'-dicyclohexylphosphino-2,6-dimethoxy-1,1'-biphenyl-3-sulphonate hydrate; 2'-Dicyclohexylphosphino-2,6-dimethoxy-3-sulfonato; [1,1 inverted exclamation marka-Biphenyl]-3-sulfonic acid, 2 inverted exclamation marka-(dicyclohexylphosphino)-2,6-dimethoxy- sodium salt; 1049726-96-6;
IUPAC Name
sodium;3-(2-dicyclohexylphosphanylphenyl)-2,4-dimethoxybenzenesulfonate;hydrate;
Molecular Weight
530.592g/mol
Molecular Formula
C26H36NaO6PS;
Canonical SMILES
COC1=C(C(=C(C=C1)S(=O)(=O)[O-])OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.O.[Na+];
InChI
InChI=1S/C26H35O5PS.Na.H₂O/c1-30-22-17-18-24(33(27,28)29)26(31-2)25(22)21-15-9-10-16-23(21)32(19-11-5-3-6-12-19)20-13-7-4-8-14-20;;/h9-10,15-20H,3-8,11-14H2,1-2H3,(H,27,28,29);;1H2/q;+1;/p-1;
InChI Key
MAPQBSXKBDVINV-UHFFFAOYSA-M;
Complexity
687
Covalently-Bonded Unit Count
3
EC Number
617-945-5
Exact Mass
530.187g/mol
H-Bond Acceptor
6
H-Bond Donor
1
Heavy Atom Count
35
Monoisotopic Mass
530.187g/mol
Rotatable Bond Count
7
Topological Polar Surface Area
85A^2
