[(3R,4S,5R)-5-acetyloxy-3-ethanoyl-4-methyl-2-oxidanylidene-oxolan-3-yl] benzoate

Systemtic Name: [(3R,4S,5R)-5-acetyloxy-3-ethanoyl-4-methyl-2-oxidanylidene-oxolan-3-yl] benzoate Openeye Name: [(3R,4S,5R)-5-acetoxy-3-acetyl-4-methyl-2-oxo-tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(3R,4S,5R)-3-acetyl-5-acetyloxy-4-methyl-2-oxo-3-oxolanyl] ester IUPAC Name: [(3R,4S,5R)-3-acetyl-5-acetyloxy-4-methyl-2-oxooxolan-3-yl] benzoate Traditional Name: benzoic acid [(3R,4S,5R)-5-acetoxy-3-acetyl-2-keto-4-methyl-tetrahydrofuran-3-yl] ester Formula: C16H16O7 MolecularWeight: 320.29404

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)C1(C(=O)C)OC(=O)C2=CC=CC=C2)OC(=O)C

Isomeric SMILES

C[C@@H]1[C@@H](OC(=O)[C@@]1(C(=O)C)OC(=O)C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C16H16O7/c1-9-14(21-11(3)18)22-15(20)16(9,10(2)17)23-13(19)12-7-5-4-6-8-12/h4-9,14H,1-3H3/t9-,14-,16-/m1/s1