sodium 3-(2-nitrophenyl)sulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-(2-nitrophenyl)sulfanylpropane-1-sulfonate Openeye Name: sodium 3-(2-nitrophenyl)sulfanylpropane-1-sulfonate CAS Name: sodium 3-[(2-nitrophenyl)thio]-1-propanesulfonate IUPAC Name: sodium 3-(2-nitrophenyl)sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[(2-nitrophenyl)thio]propane-1-sulfonate Formula: C9H10NNaO5S2 MolecularWeight: 299.29917

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO5S2.Na/c11-10(12)8-4-1-2-5-9(8)16-6-3-7-17(13,14)15;/h1-2,4-5H,3,6-7H2,(H,13,14,15);/q;+1/p-1