[(1R,2R)-3-hexanoyloxy-2-oxidanyl-1-(5-oxidanylidene-2H-furan-3-yl)propyl] 4-bromanylbenzoate

Systemtic Name: [(1R,2R)-3-hexanoyloxy-2-oxidanyl-1-(5-oxidanylidene-2H-furan-3-yl)propyl] 4-bromanylbenzoate Openeye Name: [(1R,2R)-3-hexanoyloxy-2-hydroxy-1-(5-oxo-2H-furan-3-yl)propyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(1R,2R)-2-hydroxy-1-(5-oxo-2H-furan-3-yl)-3-(1-oxohexoxy)propyl] ester IUPAC Name: [(1R,2R)-3-hexanoyloxy-2-hydroxy-1-(5-oxo-2H-furan-3-yl)propyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1R,2R)-3-caproyloxy-2-hydroxy-1-(5-keto-2H-furan-3-yl)propyl] ester Formula: C20H23BrO7 MolecularWeight: 455.29642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(C(C1=CC(=O)OC1)OC(=O)C2=CC=C(C=C2)Br)O

Isomeric SMILES

CCCCCC(=O)OC[C@H]([C@@H](C1=CC(=O)OC1)OC(=O)C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C20H23BrO7/c1-2-3-4-5-17(23)27-12-16(22)19(14-10-18(24)26-11-14)28-20(25)13-6-8-15(21)9-7-13/h6-10,16,19,22H,2-5,11-12H2,1H3/t16-,19-/m1/s1