3-methoxy-4-methylsulfonyloxy-2-nitro-benzoic acid

Systemtic Name: 3-methoxy-4-methylsulfonyloxy-2-nitro-benzoic acid Openeye Name: 3-methoxy-4-methylsulfonyloxy-2-nitro-benzoic acid CAS Name: 3-methoxy-4-methylsulfonyloxy-2-nitrobenzoic acid IUPAC Name: 3-methoxy-4-methylsulfonyloxy-2-nitrobenzoic acid Traditional Name: 3-methoxy-4-methylsulfonyloxy-2-nitro-benzoic acid Formula: C9H9NO8S MolecularWeight: 291.23466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO8S/c1-17-8-6(18-19(2,15)16)4-3-5(9(11)12)7(8)10(13)14/h3-4H,1-2H3,(H,11,12)