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

Systemtic Name: ethyl 3,5-bis(oxidanyl)-7-(2,2,4-trimethyl-5-nitro-6-propan-2-yl-3H-1-benzofuran-7-yl)heptanoate Openeye Name: ethyl 3,5-dihydroxy-7-(6-isopropyl-2,2,4-trimethyl-5-nitro-3H-benzofuran-7-yl)heptanoate CAS Name: 3,5-dihydroxy-7-(2,2,4-trimethyl-5-nitro-6-propan-2-yl-3H-benzofuran-7-yl)heptanoic acid ethyl ester IUPAC Name: ethyl 3,5-dihydroxy-7-(2,2,4-trimethyl-5-nitro-6-propan-2-yl-3H-1-benzofuran-7-yl)heptanoate Traditional Name: 3,5-dihydroxy-7-(6-isopropyl-2,2,4-trimethyl-5-nitro-coumaran-7-yl)enanthic acid ethyl ester Formula: C23H35NO7 MolecularWeight: 437.5265

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC(CCC1=C2C(=C(C(=C1C(C)C)[N+](=O)[O-])C)CC(O2)(C)C)O)O

Isomeric SMILES

CCOC(=O)CC(CC(CCC1=C2C(=C(C(=C1C(C)C)[N+](=O)[O-])C)CC(O2)(C)C)O)O

InChI

InChI=1S/C23H35NO7/c1-7-30-19(27)11-16(26)10-15(25)8-9-17-20(13(2)3)21(24(28)29)14(4)18-12-23(5,6)31-22(17)18/h13,15-16,25-26H,7-12H2,1-6H3