[(2S,3S)-2-bromanyl-1-methoxy-4-methyl-1-oxidanylidene-pentan-3-yl] benzoate

Systemtic Name: [(2S,3S)-2-bromanyl-1-methoxy-4-methyl-1-oxidanylidene-pentan-3-yl] benzoate Openeye Name: [(1S,2S)-2-bromo-1-isopropyl-3-methoxy-3-oxo-propyl] benzoate CAS Name: benzoic acid [(2S,3S)-2-bromo-1-methoxy-4-methyl-1-oxopentan-3-yl] ester IUPAC Name: [(2S,3S)-2-bromo-1-methoxy-4-methyl-1-oxopentan-3-yl] benzoate Traditional Name: benzoic acid [(1S,2S)-2-bromo-1-isopropyl-3-keto-3-methoxy-propyl] ester Formula: C14H17BrO4 MolecularWeight: 329.18638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(=O)OC)Br)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H]([C@@H](C(=O)OC)Br)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H17BrO4/c1-9(2)12(11(15)14(17)18-3)19-13(16)10-7-5-4-6-8-10/h4-9,11-12H,1-3H3/t11-,12-/m0/s1