[(2R,3R,4R,6S)-3,4-diacetyloxy-6-bromanyl-6-cyano-oxan-2-yl]methyl ethanoate

Systemtic Name: [(2R,3R,4R,6S)-3,4-diacetyloxy-6-bromanyl-6-cyano-oxan-2-yl]methyl ethanoate Openeye Name: [(2R,3R,4R,6S)-3,4-diacetoxy-6-bromo-6-cyano-tetrahydropyran-2-yl]methyl acetate CAS Name: acetic acid [(2R,3R,4R,6S)-3,4-diacetyloxy-6-bromo-6-cyano-2-oxanyl]methyl ester IUPAC Name: [(2R,3R,4R,6S)-3,4-diacetyloxy-6-bromo-6-cyanooxan-2-yl]methyl acetate Traditional Name: acetic acid [(2R,3R,4R,6S)-3,4-diacetoxy-6-bromo-6-cyano-tetrahydropyran-2-yl]methyl ester Formula: C13H16BrNO7 MolecularWeight: 378.17264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(C(CC(O1)(C#N)Br)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1[C@@H]([C@@H](C[C@@](O1)(C#N)Br)OC(=O)C)OC(=O)C

InChI

InChI=1S/C13H16BrNO7/c1-7(16)19-5-11-12(21-9(3)18)10(20-8(2)17)4-13(14,6-15)22-11/h10-12H,4-5H2,1-3H3/t10-,11-,12-,13-/m1/s1