[(2S,3R,4R,5S,6S)-4,5-diacetyloxy-6-bromanyl-2-pentyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3R,4R,5S,6S)-4,5-diacetyloxy-6-bromanyl-2-pentyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3R,4R,5S,6S)-4,5-diacetoxy-6-bromo-2-pentyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3R,4R,5S,6S)-4,5-diacetyloxy-6-bromo-2-pentyl-3-oxanyl] ester IUPAC Name: [(2S,3R,4R,5S,6S)-4,5-diacetyloxy-6-bromo-2-pentyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3R,4R,5S,6S)-4,5-diacetoxy-2-amyl-6-bromo-tetrahydropyran-3-yl] ester Formula: C16H25BrO7 MolecularWeight: 409.2695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C(C(C(O1)Br)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCC[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Br)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C16H25BrO7/c1-5-6-7-8-12-13(21-9(2)18)14(22-10(3)19)15(16(17)24-12)23-11(4)20/h12-16H,5-8H2,1-4H3/t12-,13+,14+,15-,16+/m0/s1