sodium (3-nitro-4-oxidanidylperoxysulfanyl-phenyl) 3-bromanyl-2-nitro-propanoate

Systemtic Name: sodium (3-nitro-4-oxidanidylperoxysulfanyl-phenyl) 3-bromanyl-2-nitro-propanoate Openeye Name: sodium (3-nitro-4-oxidoperoxysulfanyl-phenyl) 3-bromo-2-nitro-propanoate CAS Name: sodium 3-bromo-2-nitropropanoic acid [3-nitro-4-(oxidodioxythio)phenyl] ester IUPAC Name: sodium (3-nitro-4-oxidoperoxysulfanylphenyl) 3-bromo-2-nitropropanoate Traditional Name: sodium 3-bromo-2-nitro-propionic acid [3-nitro-4-(oxidoperoxythio)phenyl] ester Formula: C9H6BrN2NaO9S MolecularWeight: 421.11071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC(=O)C(CBr)[N+](=O)[O-])[N+](=O)[O-])SOO[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1OC(=O)C(CBr)[N+](=O)[O-])[N+](=O)[O-])SOO[O-].[Na+]

InChI

InChI=1S/C9H7BrN2O9S.Na/c10-4-7(12(16)17)9(13)19-5-1-2-8(22-21-20-18)6(3-5)11(14)15;/h1-3,7,18H,4H2;/q;+1/p-1