[(2R,3R,4R,6R)-6-bromanyl-2-methyl-4-phenylmethoxy-oxan-3-yl] benzoate

Systemtic Name: [(2R,3R,4R,6R)-6-bromanyl-2-methyl-4-phenylmethoxy-oxan-3-yl] benzoate Openeye Name: [(2R,3R,4R,6R)-4-benzyloxy-6-bromo-2-methyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(2R,3R,4R,6R)-6-bromo-2-methyl-4-phenylmethoxy-3-oxanyl] ester IUPAC Name: [(2R,3R,4R,6R)-6-bromo-2-methyl-4-phenylmethoxyoxan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3R,4R,6R)-4-benzoxy-6-bromo-2-methyl-tetrahydropyran-3-yl] ester Formula: C20H21BrO4 MolecularWeight: 405.28234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)Br)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1[C@H]([C@@H](C[C@H](O1)Br)OCC2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21BrO4/c1-14-19(25-20(22)16-10-6-3-7-11-16)17(12-18(21)24-14)23-13-15-8-4-2-5-9-15/h2-11,14,17-19H,12-13H2,1H3/t14-,17-,18+,19-/m1/s1