4,4,5,5,5-pentakis(fluoranyl)pentyl 3-nitrobenzoate

Systemtic Name: 4,4,5,5,5-pentakis(fluoranyl)pentyl 3-nitrobenzoate Openeye Name: 4,4,5,5,5-pentafluoropentyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 4,4,5,5,5-pentafluoropentyl ester IUPAC Name: 4,4,5,5,5-pentafluoropentyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 4,4,5,5,5-pentafluoropentyl ester Formula: C12H10F5NO4 MolecularWeight: 327.204116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10F5NO4/c13-11(14,12(15,16)17)5-2-6-22-10(19)8-3-1-4-9(7-8)18(20)21/h1,3-4,7H,2,5-6H2