6-methyl-2-(4-methylsulfonylphenyl)-3-(4-nitrophenoxy)pyran-4-one

Systemtic Name: 6-methyl-2-(4-methylsulfonylphenyl)-3-(4-nitrophenoxy)pyran-4-one Openeye Name: 6-methyl-2-(4-methylsulfonylphenyl)-3-(4-nitrophenoxy)pyran-4-one CAS Name: 6-methyl-2-(4-methylsulfonylphenyl)-3-(4-nitrophenoxy)-4-pyranone IUPAC Name: 6-methyl-2-(4-methylsulfonylphenyl)-3-(4-nitrophenoxy)pyran-4-one Traditional Name: 2-(4-mesylphenyl)-6-methyl-3-(4-nitrophenoxy)pyran-4-one Formula: C19H15NO7S MolecularWeight: 401.3899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)C(=C(O1)C2=CC=C(C=C2)S(=O)(=O)C)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15NO7S/c1-12-11-17(21)19(27-15-7-5-14(6-8-15)20(22)23)18(26-12)13-3-9-16(10-4-13)28(2,24)25/h3-11H,1-2H3