1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl 4-nitrobenzoate

Systemtic Name: 1,1,1,3,3,3-hexakis(fluoranyl)propan-2-yl 4-nitrobenzoate Openeye Name: [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 1,1,1,3,3,3-hexafluoropropan-2-yl ester IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2,2,2-trifluoro-1-(trifluoromethyl)ethyl] ester Formula: C10H5F6NO4 MolecularWeight: 317.141419

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC(C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC(C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H5F6NO4/c11-9(12,13)8(10(14,15)16)21-7(18)5-1-3-6(4-2-5)17(19)20/h1-4,8H