methyl (3aR,4R,7aS)-6-(hydroxymethyl)-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate

Systemtic Name: methyl (3aR,4R,7aS)-6-(hydroxymethyl)-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Openeye Name: methyl (3aR,4R,7aS)-6-(hydroxymethyl)-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylate CAS Name: (3aR,4R,7aS)-6-(hydroxymethyl)-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester IUPAC Name: methyl (3aR,4R,7aS)-6-(hydroxymethyl)-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Traditional Name: (3aR,4R,7aS)-3-keto-6-methylol-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid methyl ester Formula: C11H14O5 MolecularWeight: 226.22586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=CC2C1C(=O)OC2)CO

Isomeric SMILES

COC(=O)[C@@H]1CC(=C[C@H]2[C@H]1C(=O)OC2)CO

InChI

InChI=1S/C11H14O5/c1-15-10(13)8-3-6(4-12)2-7-5-16-11(14)9(7)8/h2,7-9,12H,3-5H2,1H3/t7-,8-,9-/m1/s1