ethyl 3,5-bis(5-fluoranyl-2,4-dinitro-phenoxy)benzoate

Systemtic Name: ethyl 3,5-bis(5-fluoranyl-2,4-dinitro-phenoxy)benzoate Openeye Name: ethyl 3,5-bis(5-fluoro-2,4-dinitro-phenoxy)benzoate CAS Name: 3,5-bis(5-fluoro-2,4-dinitrophenoxy)benzoic acid ethyl ester IUPAC Name: ethyl 3,5-bis(5-fluoro-2,4-dinitrophenoxy)benzoate Traditional Name: 3,5-bis(5-fluoro-2,4-dinitro-phenoxy)benzoic acid ethyl ester Formula: C21H12F2N4O12 MolecularWeight: 550.336386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)OC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])F)OC3=CC(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])F

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)OC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])F)OC3=CC(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])F

InChI

InChI=1S/C21H12F2N4O12/c1-2-37-21(28)10-3-11(38-19-6-13(22)15(24(29)30)8-17(19)26(33)34)5-12(4-10)39-20-7-14(23)16(25(31)32)9-18(20)27(35)36/h3-9H,2H2,1H3