[(2S,5S)-1,6-bis(bromanyl)-5-(phenylcarbonyloxy)hexan-2-yl] benzoate

Systemtic Name: [(2S,5S)-1,6-bis(bromanyl)-5-(phenylcarbonyloxy)hexan-2-yl] benzoate Openeye Name: [(1S,4S)-4-benzoyloxy-5-bromo-1-(bromomethyl)pentyl] benzoate CAS Name: benzoic acid [(2S,5S)-5-benzoyloxy-1,6-dibromohexan-2-yl] ester IUPAC Name: [(2S,5S)-5-benzoyloxy-1,6-dibromohexan-2-yl] benzoate Traditional Name: benzoic acid [(1S,4S)-4-benzoyloxy-5-bromo-1-(bromomethyl)pentyl] ester Formula: C20H20Br2O4 MolecularWeight: 484.1784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(CCC(CBr)OC(=O)C2=CC=CC=C2)CBr

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O[C@@H](CC[C@@H](CBr)OC(=O)C2=CC=CC=C2)CBr

InChI

InChI=1S/C20H20Br2O4/c21-13-17(25-19(23)15-7-3-1-4-8-15)11-12-18(14-22)26-20(24)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18-/m0/s1