[6-bromanyl-3-fluoranyl-2-oxidanyl-6-oxidanylidene-4,5-bis(phenylcarbonyloxy)hexyl] benzoate

Systemtic Name: [6-bromanyl-3-fluoranyl-2-oxidanyl-6-oxidanylidene-4,5-bis(phenylcarbonyloxy)hexyl] benzoate Openeye Name: (4,5-dibenzoyloxy-6-bromo-3-fluoro-2-hydroxy-6-oxo-hexyl) benzoate CAS Name: benzoic acid (4,5-dibenzoyloxy-6-bromo-3-fluoro-2-hydroxy-6-oxohexyl) ester IUPAC Name: (4,5-dibenzoyloxy-6-bromo-3-fluoro-2-hydroxy-6-oxohexyl) benzoate Traditional Name: benzoic acid (4,5-dibenzoyloxy-6-bromo-3-fluoro-2-hydroxy-6-keto-hexyl) ester Formula: C27H22BrFO8 MolecularWeight: 573.361183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(C(C(C(C(=O)Br)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)F)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(C(C(C(C(=O)Br)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)F)O

InChI

InChI=1S/C27H22BrFO8/c28-24(31)23(37-27(34)19-14-8-3-9-15-19)22(36-26(33)18-12-6-2-7-13-18)21(29)20(30)16-35-25(32)17-10-4-1-5-11-17/h1-15,20-23,30H,16H2