methyl 5-methylsulfonyl-3-nitro-2-oxidanyl-benzoate

Systemtic Name: methyl 5-methylsulfonyl-3-nitro-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-5-methylsulfonyl-3-nitro-benzoate CAS Name: 2-hydroxy-5-methylsulfonyl-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-methylsulfonyl-3-nitrobenzoate Traditional Name: 2-hydroxy-5-mesyl-3-nitro-benzoic acid methyl ester Formula: C9H9NO7S MolecularWeight: 275.23526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C9H9NO7S/c1-17-9(12)6-3-5(18(2,15)16)4-7(8(6)11)10(13)14/h3-4,11H,1-2H3