[4-(4-methylsulfonyloxy-2-nitro-phenyl)carbonyl-5-oxidanylidene-2H-pyran-3-yl] hexanoate

Systemtic Name: [4-(4-methylsulfonyloxy-2-nitro-phenyl)carbonyl-5-oxidanylidene-2H-pyran-3-yl] hexanoate Openeye Name: [4-(4-methylsulfonyloxy-2-nitro-benzoyl)-5-oxo-2H-pyran-3-yl] hexanoate CAS Name: hexanoic acid [4-[(4-methylsulfonyloxy-2-nitrophenyl)-oxomethyl]-5-oxo-2H-pyran-3-yl] ester IUPAC Name: [4-(4-methylsulfonyloxy-2-nitrobenzoyl)-5-oxo-2H-pyran-3-yl] hexanoate Traditional Name: hexanoic acid [5-keto-4-(4-methylsulfonyloxy-2-nitro-benzoyl)-2H-pyran-3-yl] ester Formula: C19H21NO10S MolecularWeight: 455.43574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C(=O)COC1)C(=O)C2=C(C=C(C=C2)OS(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(=O)OC1=C(C(=O)COC1)C(=O)C2=C(C=C(C=C2)OS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21NO10S/c1-3-4-5-6-17(22)29-16-11-28-10-15(21)18(16)19(23)13-8-7-12(30-31(2,26)27)9-14(13)20(24)25/h7-9H,3-6,10-11H2,1-2H3