(2,2,6,6-tetramethyl-5-oxidanylidene-pyran-3-yl) 3-methoxy-4-methylsulfonyloxy-2-nitro-benzoate

Systemtic Name: (2,2,6,6-tetramethyl-5-oxidanylidene-pyran-3-yl) 3-methoxy-4-methylsulfonyloxy-2-nitro-benzoate Openeye Name: (2,2,6,6-tetramethyl-5-oxo-pyran-3-yl) 3-methoxy-4-methylsulfonyloxy-2-nitro-benzoate CAS Name: 3-methoxy-4-methylsulfonyloxy-2-nitrobenzoic acid (2,2,6,6-tetramethyl-5-oxo-3-pyranyl) ester IUPAC Name: (2,2,6,6-tetramethyl-5-oxopyran-3-yl) 3-methoxy-4-methylsulfonyloxy-2-nitrobenzoate Traditional Name: 3-methoxy-4-methylsulfonyloxy-2-nitro-benzoic acid (5-keto-2,2,6,6-tetramethyl-pyran-3-yl) ester Formula: C18H21NO10S MolecularWeight: 443.42504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=CC(=O)C(O1)(C)C)OC(=O)C2=C(C(=C(C=C2)OS(=O)(=O)C)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(=CC(=O)C(O1)(C)C)OC(=O)C2=C(C(=C(C=C2)OS(=O)(=O)C)OC)[N+](=O)[O-])C

InChI

InChI=1S/C18H21NO10S/c1-17(2)12(20)9-13(18(3,4)29-17)27-16(21)10-7-8-11(28-30(6,24)25)15(26-5)14(10)19(22)23/h7-9H,1-6H3