sodium 3-diphenylphosphanylbenzenesulfonate dihydrate

Systemtic Name: sodium 3-diphenylphosphanylbenzenesulfonate dihydrate Openeye Name: sodium 3-diphenylphosphanylbenzenesulfonate dihydrate CAS Name: sodium 3-diphenylphosphinobenzenesulfonate dihydrate IUPAC Name: sodium 3-diphenylphosphanylbenzenesulfonate dihydrate Traditional Name: sodium 3-diphenylphosphinobesylate dihydrate Formula: C18H18NaO5PS MolecularWeight: 400.361051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)[O-].O.O.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)[O-].O.O.[Na+]

InChI

InChI=1S/C18H15O3PS.Na.2H2O/c19-23(20,21)18-13-7-12-17(14-18)22(15-8-3-1-4-9-15)16-10-5-2-6-11-16;;;/h1-14H,(H,19,20,21);;2*1H2/q;+1;;/p-1