3-(3,4-dinitrophenoxy)propane-1-sulfonic acid

Systemtic Name: 3-(3,4-dinitrophenoxy)propane-1-sulfonic acid Openeye Name: 3-(3,4-dinitrophenoxy)propane-1-sulfonic acid CAS Name: 3-(3,4-dinitrophenoxy)-1-propanesulfonic acid IUPAC Name: 3-(3,4-dinitrophenoxy)propane-1-sulfonic acid Traditional Name: 3-(3,4-dinitrophenoxy)propane-1-sulfonic acid Formula: C9H10N2O8S MolecularWeight: 306.2493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OCCCS(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1OCCCS(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O8S/c12-10(13)8-3-2-7(6-9(8)11(14)15)19-4-1-5-20(16,17)18/h2-3,6H,1,4-5H2,(H,16,17,18)