1-benzofuran-7-yl 2,2,4,6,7-pentamethyl-5-nitro-3,5-bis(oxidanyl)octanoate

Systemtic Name: 1-benzofuran-7-yl 2,2,4,6,7-pentamethyl-5-nitro-3,5-bis(oxidanyl)octanoate Openeye Name: benzofuran-7-yl 3,5-dihydroxy-2,2,4,6,7-pentamethyl-5-nitro-octanoate CAS Name: 3,5-dihydroxy-2,2,4,6,7-pentamethyl-5-nitrooctanoic acid 7-benzofuranyl ester IUPAC Name: 1-benzofuran-7-yl 3,5-dihydroxy-2,2,4,6,7-pentamethyl-5-nitrooctanoate Traditional Name: 3,5-dihydroxy-2,2,4,6,7-pentamethyl-5-nitro-caprylic acid benzofuran-7-yl ester Formula: C21H29NO7 MolecularWeight: 407.45746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C(C(C)C(C(C)(C)C(=O)OC1=CC=CC2=C1OC=C2)O)([N+](=O)[O-])O

Isomeric SMILES

CC(C)C(C)C(C(C)C(C(C)(C)C(=O)OC1=CC=CC2=C1OC=C2)O)([N+](=O)[O-])O

InChI

InChI=1S/C21H29NO7/c1-12(2)13(3)21(25,22(26)27)14(4)18(23)20(5,6)19(24)29-16-9-7-8-15-10-11-28-17(15)16/h7-14,18,23,25H,1-6H3