nitro 2-(nitromethyl)benzenesulfonate

Systemtic Name: nitro 2-(nitromethyl)benzenesulfonate Openeye Name: nitro 2-(nitromethyl)benzenesulfonate CAS Name: 2-(nitromethyl)benzenesulfonic acid nitro ester IUPAC Name: nitro 2-(nitromethyl)benzenesulfonate Traditional Name: 2-(nitromethyl)benzenesulfonic acid nitro ester Formula: C7H6N2O7S MolecularWeight: 262.19674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6N2O7S/c10-8(11)5-6-3-1-2-4-7(6)17(14,15)16-9(12)13/h1-4H,5H2