trisodium 3-phosphanylbenzenesulfonate

Systemtic Name: trisodium 3-phosphanylbenzenesulfonate Openeye Name: trisodium 3-phosphanylbenzenesulfonate CAS Name: trisodium 3-phosphinobenzenesulfonate IUPAC Name: trisodium 3-phosphanylbenzenesulfonate Traditional Name: trisodium 3-phosphinobesylate Formula: C18H18Na3O9P3S3 MolecularWeight: 636.415713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H7O3PS.3Na/c3*7-11(8,9)6-3-1-2-5(10)4-6;;;/h3*1-4H,10H2,(H,7,8,9);;;/q;;;3*+1/p-3