ethyl (2S,3R)-3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-bromanyl-propanoate

Systemtic Name: ethyl (2S,3R)-3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-bromanyl-propanoate Openeye Name: ethyl (2S,3R)-3-acetoxy-3-(1,3-benzodioxol-5-yl)-2-bromo-propanoate CAS Name: (2S,3R)-3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-bromopropanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-3-acetyloxy-3-(1,3-benzodioxol-5-yl)-2-bromopropanoate Traditional Name: (2S,3R)-3-acetoxy-3-(1,3-benzodioxol-5-yl)-2-bromo-propionic acid ethyl ester Formula: C14H15BrO6 MolecularWeight: 359.1693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC2=C(C=C1)OCO2)OC(=O)C)Br

Isomeric SMILES

CCOC(=O)[C@H]([C@@H](C1=CC2=C(C=C1)OCO2)OC(=O)C)Br

InChI

InChI=1S/C14H15BrO6/c1-3-18-14(17)12(15)13(21-8(2)16)9-4-5-10-11(6-9)20-7-19-10/h4-6,12-13H,3,7H2,1-2H3/t12-,13+/m0/s1