ethyl (2S)-2-[2-(1,3-benzodioxol-5-yl)-2-bromanyl-ethanoyl]oxypropanoate

Systemtic Name: ethyl (2S)-2-[2-(1,3-benzodioxol-5-yl)-2-bromanyl-ethanoyl]oxypropanoate Openeye Name: ethyl (2S)-2-[2-(1,3-benzodioxol-5-yl)-2-bromo-acetyl]oxypropanoate CAS Name: (2S)-2-[2-(1,3-benzodioxol-5-yl)-2-bromo-1-oxoethoxy]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[2-(1,3-benzodioxol-5-yl)-2-bromoacetyl]oxypropanoate Traditional Name: (2S)-2-[2-(1,3-benzodioxol-5-yl)-2-bromo-acetyl]oxypropionic acid ethyl ester Formula: C14H15BrO6 MolecularWeight: 359.1693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrO6/c1-3-18-13(16)8(2)21-14(17)12(15)9-4-5-10-11(6-9)20-7-19-10/h4-6,8,12H,3,7H2,1-2H3/t8-,12?/m0/s1