3-(4-nitrophenoxy)propane-1-sulfonic acid

Systemtic Name: 3-(4-nitrophenoxy)propane-1-sulfonic acid Openeye Name: 3-(4-nitrophenoxy)propane-1-sulfonic acid CAS Name: 3-(4-nitrophenoxy)-1-propanesulfonic acid IUPAC Name: 3-(4-nitrophenoxy)propane-1-sulfonic acid Traditional Name: 3-(4-nitrophenoxy)propane-1-sulfonic acid Formula: C9H11NO6S MolecularWeight: 261.25174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO6S/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)