oxolan-2-ylmethyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: oxolan-2-ylmethyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: tetrahydrofuran-2-ylmethyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid tetrahydrofurfuryl ester Formula: C13H15NO7S MolecularWeight: 329.3257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2CCCO2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2CCCO2)[N+](=O)[O-]

InChI

InChI=1S/C13H15NO7S/c1-22(18,19)12-5-4-9(7-11(12)14(16)17)13(15)21-8-10-3-2-6-20-10/h4-5,7,10H,2-3,6,8H2,1H3