sodium 2,6-diphenyl-3-phosphanyl-benzenesulfonate dihydrate

Systemtic Name: sodium 2,6-diphenyl-3-phosphanyl-benzenesulfonate dihydrate Openeye Name: sodium 2,6-diphenyl-3-phosphanyl-benzenesulfonate dihydrate CAS Name: sodium 2,6-diphenyl-3-phosphinobenzenesulfonate dihydrate IUPAC Name: sodium 2,6-diphenyl-3-phosphanylbenzenesulfonate dihydrate Traditional Name: sodium 2,6-diphenyl-3-phosphino-besylate dihydrate Formula: C18H18NaO5PS MolecularWeight: 400.361051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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