[(3S,4R,5S)-2-oxidanylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] 2-bromanylethanoate

Systemtic Name: [(3S,4R,5S)-2-oxidanylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] 2-bromanylethanoate Openeye Name: [(3S,4R,5S)-4-benzyloxy-5-(benzyloxymethyl)-2-oxo-tetrahydrofuran-3-yl] 2-bromoacetate CAS Name: 2-bromoacetic acid [(3S,4R,5S)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)-3-oxolanyl] ester IUPAC Name: [(3S,4R,5S)-2-oxo-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] 2-bromoacetate Traditional Name: 2-bromoacetic acid [(3S,4R,5S)-4-benzoxy-5-(benzoxymethyl)-2-keto-tetrahydrofuran-3-yl] ester Formula: C21H21BrO6 MolecularWeight: 449.29184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(=O)O2)OC(=O)CBr)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC[C@H]2[C@H]([C@@H](C(=O)O2)OC(=O)CBr)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21BrO6/c22-11-18(23)28-20-19(26-13-16-9-5-2-6-10-16)17(27-21(20)24)14-25-12-15-7-3-1-4-8-15/h1-10,17,19-20H,11-14H2/t17-,19+,20-/m0/s1