1,1,1-tris(fluoranyl)octan-2-yl 4-nitrobenzoate

Systemtic Name: 1,1,1-tris(fluoranyl)octan-2-yl 4-nitrobenzoate Openeye Name: 1-(trifluoromethyl)heptyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 1,1,1-trifluorooctan-2-yl ester IUPAC Name: 1,1,1-trifluorooctan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 1-(trifluoromethyl)heptyl ester Formula: C15H18F3NO4 MolecularWeight: 333.30293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18F3NO4/c1-2-3-4-5-6-13(15(16,17)18)23-14(20)11-7-9-12(10-8-11)19(21)22/h7-10,13H,2-6H2,1H3