methyl (2S,3S)-3-acetyloxy-2-bromanyl-3-(4-methylphenyl)propanoate

Systemtic Name: methyl (2S,3S)-3-acetyloxy-2-bromanyl-3-(4-methylphenyl)propanoate Openeye Name: methyl (2S,3S)-3-acetoxy-2-bromo-3-(p-tolyl)propanoate CAS Name: (2S,3S)-3-acetyloxy-2-bromo-3-(4-methylphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-acetyloxy-2-bromo-3-(4-methylphenyl)propanoate Traditional Name: (2S,3S)-3-acetoxy-2-bromo-3-(p-tolyl)propionic acid methyl ester Formula: C13H15BrO4 MolecularWeight: 315.1598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(C(=O)OC)Br)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]([C@@H](C(=O)OC)Br)OC(=O)C

InChI

InChI=1S/C13H15BrO4/c1-8-4-6-10(7-5-8)12(18-9(2)15)11(14)13(16)17-3/h4-7,11-12H,1-3H3/t11-,12-/m0/s1