[(E,2R,3R)-2-acetyloxy-3-bromanyl-6-methoxy-6-oxidanylidene-hex-4-enyl] benzoate

Systemtic Name: [(E,2R,3R)-2-acetyloxy-3-bromanyl-6-methoxy-6-oxidanylidene-hex-4-enyl] benzoate Openeye Name: [(E,2R,3R)-2-acetoxy-3-bromo-6-methoxy-6-oxo-hex-4-enyl] benzoate CAS Name: benzoic acid [(E,2R,3R)-2-acetyloxy-3-bromo-6-methoxy-6-oxohex-4-enyl] ester IUPAC Name: [(E,2R,3R)-2-acetyloxy-3-bromo-6-methoxy-6-oxohex-4-enyl] benzoate Traditional Name: benzoic acid [(E,2R,3R)-2-acetoxy-3-bromo-6-keto-6-methoxy-hex-4-enyl] ester Formula: C16H17BrO6 MolecularWeight: 385.20658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrO6/c1-11(18)23-14(13(17)8-9-15(19)21-2)10-22-16(20)12-6-4-3-5-7-12/h3-9,13-14H,10H2,1-2H3/b9-8+/t13-,14-/m1/s1