[(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-bromanylethynyl)oxolan-3-yl] benzoate

Systemtic Name: [(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-bromanylethynyl)oxolan-3-yl] benzoate Openeye Name: [(2R,3R,4R,5S)-4,5-diacetoxy-2-(2-bromoethynyl)tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-bromoethynyl)-3-oxolanyl] ester IUPAC Name: [(2R,3R,4R,5S)-4,5-diacetyloxy-2-(2-bromoethynyl)oxolan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4R,5S)-4,5-diacetoxy-2-(2-bromoethynyl)tetrahydrofuran-3-yl] ester Formula: C17H15BrO7 MolecularWeight: 411.2008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC1OC(=O)C)C#CBr)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1OC(=O)C)C#CBr)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H15BrO7/c1-10(19)22-15-14(25-16(21)12-6-4-3-5-7-12)13(8-9-18)24-17(15)23-11(2)20/h3-7,13-15,17H,1-2H3/t13-,14-,15-,17-/m1/s1