2-azanyl-5-methoxy-3-nitro-benzenesulfonic acid

Systemtic Name: 2-azanyl-5-methoxy-3-nitro-benzenesulfonic acid Openeye Name: 2-amino-5-methoxy-3-nitro-benzenesulfonic acid CAS Name: 2-amino-5-methoxy-3-nitrobenzenesulfonic acid IUPAC Name: 2-amino-5-methoxy-3-nitrobenzenesulfonic acid Traditional Name: 2-amino-5-methoxy-3-nitro-besylic acid Formula: C7H8N2O6S MolecularWeight: 248.21322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)[N+](=O)[O-])N)S(=O)(=O)O

Isomeric SMILES

COC1=CC(=C(C(=C1)[N+](=O)[O-])N)S(=O)(=O)O

InChI

InChI=1S/C7H8N2O6S/c1-15-4-2-5(9(10)11)7(8)6(3-4)16(12,13)14/h2-3H,8H2,1H3,(H,12,13,14)