3-methylsulfonyloxy-4-nitro-benzoate

Systemtic Name: 3-methylsulfonyloxy-4-nitro-benzoate Openeye Name: 3-methylsulfonyloxy-4-nitro-benzoate CAS Name: 3-methylsulfonyloxy-4-nitrobenzoate IUPAC Name: 3-methylsulfonyloxy-4-nitrobenzoate Traditional Name: 3-methylsulfonyloxy-4-nitro-benzoate Formula: C8H6NO7S- MolecularWeight: 260.20074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C=CC(=C1)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1=C(C=CC(=C1)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H7NO7S/c1-17(14,15)16-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3,(H,10,11)/p-1