trisodium 3-phosphanylbenzenesulfonate tetrahydrate

Systemtic Name: trisodium 3-phosphanylbenzenesulfonate tetrahydrate Openeye Name: trisodium 3-phosphanylbenzenesulfonate tetrahydrate CAS Name: trisodium 3-phosphinobenzenesulfonate tetrahydrate IUPAC Name: trisodium 3-phosphanylbenzenesulfonate tetrahydrate Traditional Name: trisodium 3-phosphinobesylate tetrahydrate Formula: C6H14Na3O7PS+2 MolecularWeight: 330.179231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H7O3PS.3Na.4H2O/c7-11(8,9)6-3-1-2-5(10)4-6;;;;;;;/h1-4H,10H2,(H,7,8,9);;;;4*1H2/q;3*+1;;;;/p-1