sodium 2-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]sulfanylethanesulfonate

Systemtic Name: sodium 2-[2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]sulfanylethanesulfonate Openeye Name: sodium 2-(2,5-dioxo-1-phenyl-pyrrolidin-3-yl)sulfanylethanesulfonate CAS Name: sodium 2-[(2,5-dioxo-1-phenyl-3-pyrrolidinyl)thio]ethanesulfonate IUPAC Name: sodium 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylethanesulfonate Traditional Name: sodium 2-[(2,5-diketo-1-phenyl-pyrrolidin-3-yl)thio]ethanesulfonate Formula: C12H12NNaO5S2 MolecularWeight: 337.34715

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=CC=C2)SCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=CC=C2)SCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H13NO5S2.Na/c14-11-8-10(19-6-7-20(16,17)18)12(15)13(11)9-4-2-1-3-5-9;/h1-5,10H,6-8H2,(H,16,17,18);/q;+1/p-1