(2,2,4,6-tetramethyl-5-nitro-3H-1-benzofuran-7-yl) 3,5-bis(oxidanyl)heptanoate

Systemtic Name: (2,2,4,6-tetramethyl-5-nitro-3H-1-benzofuran-7-yl) 3,5-bis(oxidanyl)heptanoate Openeye Name: (2,2,4,6-tetramethyl-5-nitro-3H-benzofuran-7-yl) 3,5-dihydroxyheptanoate CAS Name: 3,5-dihydroxyheptanoic acid (2,2,4,6-tetramethyl-5-nitro-3H-benzofuran-7-yl) ester IUPAC Name: (2,2,4,6-tetramethyl-5-nitro-3H-1-benzofuran-7-yl) 3,5-dihydroxyheptanoate Traditional Name: 3,5-dihydroxyenanthic acid (2,2,4,6-tetramethyl-5-nitro-coumaran-7-yl) ester Formula: C19H27NO7 MolecularWeight: 381.42018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC(=O)OC1=C2C(=C(C(=C1C)[N+](=O)[O-])C)CC(O2)(C)C)O)O

Isomeric SMILES

CCC(CC(CC(=O)OC1=C2C(=C(C(=C1C)[N+](=O)[O-])C)CC(O2)(C)C)O)O

InChI

InChI=1S/C19H27NO7/c1-6-12(21)7-13(22)8-15(23)26-17-11(3)16(20(24)25)10(2)14-9-19(4,5)27-18(14)17/h12-13,21-22H,6-9H2,1-5H3