methyl 6,6,6-tris(fluoranyl)-5-methyl-5-nitro-hexanoate

Systemtic Name: methyl 6,6,6-tris(fluoranyl)-5-methyl-5-nitro-hexanoate Openeye Name: methyl 6,6,6-trifluoro-5-methyl-5-nitro-hexanoate CAS Name: 6,6,6-trifluoro-5-methyl-5-nitrohexanoic acid methyl ester IUPAC Name: methyl 6,6,6-trifluoro-5-methyl-5-nitrohexanoate Traditional Name: 6,6,6-trifluoro-5-methyl-5-nitro-hexanoic acid methyl ester Formula: C8H12F3NO4 MolecularWeight: 243.18039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12F3NO4/c1-7(12(14)15,8(9,10)11)5-3-4-6(13)16-2/h3-5H2,1-2H3