[2-[5-(bromanyl-fluoranyl-iodanyl-methyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methanoyloxy-ethyl] 3,5-dinitrobenzoate

Systemtic Name: [2-[5-(bromanyl-fluoranyl-iodanyl-methyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methanoyloxy-ethyl] 3,5-dinitrobenzoate Openeye Name: [2-[5-(bromo-fluoro-iodo-methyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-formyloxy-ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-[5-(bromo-fluoro-iodomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-formyloxyethyl] ester IUPAC Name: [2-[5-(bromo-fluoro-iodomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-formyloxyethyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-[5-(bromo-fluoro-iodo-methyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-formyloxy-ethyl] ester Formula: C16H15BrFIN2O10 MolecularWeight: 621.104573

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)C(F)(Br)I)C(COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC=O)C

Isomeric SMILES

CC1(OC(C(O1)C(F)(Br)I)C(COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC=O)C

InChI

InChI=1S/C16H15BrFIN2O10/c1-15(2)30-12(13(31-15)16(17,18)19)11(29-7-22)6-28-14(23)8-3-9(20(24)25)5-10(4-8)21(26)27/h3-5,7,11-13H,6H2,1-2H3