1-(2-nitro-5-octoxy-phenyl)hexane-1,3,5-trione

Systemtic Name: 1-(2-nitro-5-octoxy-phenyl)hexane-1,3,5-trione Openeye Name: 1-(2-nitro-5-octoxy-phenyl)hexane-1,3,5-trione CAS Name: 1-(2-nitro-5-octoxyphenyl)hexane-1,3,5-trione IUPAC Name: 1-(2-nitro-5-octoxyphenyl)hexane-1,3,5-trione Traditional Name: 1-(2-nitro-5-octoxy-phenyl)hexane-1,3,5-trione Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)CC(=O)CC(=O)C

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)CC(=O)CC(=O)C

InChI

InChI=1S/C20H27NO6/c1-3-4-5-6-7-8-11-27-17-9-10-19(21(25)26)18(14-17)20(24)13-16(23)12-15(2)22/h9-10,14H,3-8,11-13H2,1-2H3