sodium 3-(4-nitrophenoxy)propane-1-sulfonate

Systemtic Name: sodium 3-(4-nitrophenoxy)propane-1-sulfonate Openeye Name: sodium 3-(4-nitrophenoxy)propane-1-sulfonate CAS Name: sodium 3-(4-nitrophenoxy)-1-propanesulfonate IUPAC Name: sodium 3-(4-nitrophenoxy)propane-1-sulfonate Traditional Name: sodium 3-(4-nitrophenoxy)propane-1-sulfonate Formula: C9H10NNaO6S MolecularWeight: 283.23357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO6S.Na/c11-10(12)8-2-4-9(5-3-8)16-6-1-7-17(13,14)15;/h2-5H,1,6-7H2,(H,13,14,15);/q;+1/p-1