2,2,2-tris(fluoranyl)ethyl 3,5-dinitrobenzoate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 3,5-dinitrobenzoate Openeye Name: 2,2,2-trifluoroethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2,2,2-trifluoroethyl ester Formula: C9H5F3N2O6 MolecularWeight: 294.14101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H5F3N2O6/c10-9(11,12)4-20-8(15)5-1-6(13(16)17)3-7(2-5)14(18)19/h1-3H,4H2