methyl 2-[(3S,3aS)-9-methoxy-3a-oxidanyl-4-oxidanylidene-1,3-dihydrobenzo[f][2]benzofuran-3-yl]ethanoate

Systemtic Name: methyl 2-[(3S,3aS)-9-methoxy-3a-oxidanyl-4-oxidanylidene-1,3-dihydrobenzo[f][2]benzofuran-3-yl]ethanoate Openeye Name: methyl 2-[(3S,3aS)-3a-hydroxy-9-methoxy-4-oxo-1,3-dihydrobenzo[f]isobenzofuran-3-yl]acetate CAS Name: 2-[(3S,3aS)-3a-hydroxy-9-methoxy-4-oxo-1,3-dihydrobenzo[f]isobenzofuran-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(3S,3aS)-3a-hydroxy-9-methoxy-4-oxo-1,3-dihydrobenzo[f][2]benzofuran-3-yl]acetate Traditional Name: 2-[(3S,3aS)-3a-hydroxy-4-keto-9-methoxy-1,3-dihydrobenz[f]isobenzofuran-3-yl]acetic acid methyl ester Formula: C16H16O6 MolecularWeight: 304.29464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2COC(C2(C(=O)C3=CC=CC=C31)O)CC(=O)OC

Isomeric SMILES

COC1=C2CO[C@H]([C@@]2(C(=O)C3=CC=CC=C31)O)CC(=O)OC

InChI

InChI=1S/C16H16O6/c1-20-13(17)7-12-16(19)11(8-22-12)14(21-2)9-5-3-4-6-10(9)15(16)18/h3-6,12,19H,7-8H2,1-2H3/t12-,16-/m0/s1