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4-nitro-7-oxidanylidene-4-(trifluoromethyl)octanoic acid

4-nitro-7-oxidanylidene-4-(trifluoromethyl)octanoic acid

Systemtic Name:4-nitro-7-oxidanylidene-4-(trifluoromethyl)octanoic acid
Openeye Name:4-nitro-7-oxo-4-(trifluoromethyl)octanoic acid
CAS Name:4-nitro-7-oxo-4-(trifluoromethyl)octanoic acid
IUPAC Name:4-nitro-7-oxo-4-(trifluoromethyl)octanoic acid
Traditional Name:7-keto-4-nitro-4-(trifluoromethyl)caprylic acid
Formula: C9H12F3NO5
MolecularWeight: 271.19049
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C9H12F3NO5/c1-6(14)2-4-8(13(17)18,9(10,11)12)5-3-7(15)16/h2-5H2,1H3,(H,15,16)


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