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

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


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