4-nitro-7-oxidanylidene-4-(trifluoromethyl)octanal

Systemtic Name: 4-nitro-7-oxidanylidene-4-(trifluoromethyl)octanal Openeye Name: 4-nitro-7-oxo-4-(trifluoromethyl)octanal CAS Name: 4-nitro-7-oxo-4-(trifluoromethyl)octanal IUPAC Name: 4-nitro-7-oxo-4-(trifluoromethyl)octanal Traditional Name: 7-keto-4-nitro-4-(trifluoromethyl)caprylaldehyde Formula: C9H12F3NO4 MolecularWeight: 255.19109

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(CCC=O)(C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCC(CCC=O)(C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C9H12F3NO4/c1-7(15)3-5-8(13(16)17,4-2-6-14)9(10,11)12/h6H,2-5H2,1H3