sodium 2-(4-methylsulfonyl-2-nitrooxy-phenyl)-1-oxidanyl-3-oxidanylidene-propane-1-sulfonate

Systemtic Name: sodium 2-(4-methylsulfonyl-2-nitrooxy-phenyl)-1-oxidanyl-3-oxidanylidene-propane-1-sulfonate Openeye Name: sodium 1-hydroxy-2-(4-methylsulfonyl-2-nitrooxy-phenyl)-3-oxo-propane-1-sulfonate CAS Name: sodium 1-hydroxy-2-(4-methylsulfonyl-2-nitrooxyphenyl)-3-oxo-1-propanesulfonate IUPAC Name: sodium 1-hydroxy-2-(4-methylsulfonyl-2-nitrooxyphenyl)-3-oxopropane-1-sulfonate Traditional Name: sodium 1-hydroxy-3-keto-2-(4-mesyl-2-nitrooxy-phenyl)propane-1-sulfonate Formula: C10H10NNaO10S2 MolecularWeight: 391.30687

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C(C=O)C(O)S(=O)(=O)[O-])O[N+](=O)[O-].[Na+]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(C=O)C(O)S(=O)(=O)[O-])O[N+](=O)[O-].[Na+]

InChI

InChI=1S/C10H11NO10S2.Na/c1-22(16,17)6-2-3-7(9(4-6)21-11(14)15)8(5-12)10(13)23(18,19)20;/h2-5,8,10,13H,1H3,(H,18,19,20);/q;+1/p-1