[(3aS,5S,7aR)-6-acetyloxy-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-5-yl]methyl ethanoate

Systemtic Name: [(3aS,5S,7aR)-6-acetyloxy-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-5-yl]methyl ethanoate Openeye Name: [(3aS,5S,7aR)-6-acetoxy-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-5-yl]methyl acetate CAS Name: acetic acid [(3aS,5S,7aR)-6-acetyloxy-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-5-yl]methyl ester IUPAC Name: [(3aS,5S,7aR)-6-acetyloxy-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-5-yl]methyl acetate Traditional Name: acetic acid [(3aS,5S,7aR)-6-acetoxy-3-keto-3a,4,5,7a-tetrahydro-1H-isobenzofuran-5-yl]methyl ester Formula: C13H16O6 MolecularWeight: 268.26254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC2C(COC2=O)C=C1OC(=O)C

Isomeric SMILES

CC(=O)OC[C@@H]1C[C@H]2[C@H](COC2=O)C=C1OC(=O)C

InChI

InChI=1S/C13H16O6/c1-7(14)17-6-10-3-11-9(5-18-13(11)16)4-12(10)19-8(2)15/h4,9-11H,3,5-6H2,1-2H3/t9-,10-,11-/m0/s1