ethyl (3aR,4S,5S,7aS)-4-methyl-5,7a-bis(oxidanyl)-1-oxidanylidene-3a,5-dihydro-3H-2-benzofuran-4-carboxylate

Systemtic Name: ethyl (3aR,4S,5S,7aS)-4-methyl-5,7a-bis(oxidanyl)-1-oxidanylidene-3a,5-dihydro-3H-2-benzofuran-4-carboxylate Openeye Name: ethyl (3aR,4S,5S,7aS)-5,7a-dihydroxy-4-methyl-1-oxo-3a,5-dihydro-3H-isobenzofuran-4-carboxylate CAS Name: (3aR,4S,5S,7aS)-5,7a-dihydroxy-4-methyl-1-oxo-3a,5-dihydro-3H-isobenzofuran-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,4S,5S,7aS)-5,7a-dihydroxy-4-methyl-1-oxo-3a,5-dihydro-3H-2-benzofuran-4-carboxylate Traditional Name: (3aR,4S,5S,7aS)-5,7a-dihydroxy-1-keto-4-methyl-3a,5-dihydro-3H-isobenzofuran-4-carboxylic acid ethyl ester Formula: C12H16O6 MolecularWeight: 256.25184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2COC(=O)C2(C=CC1O)O)C

Isomeric SMILES

CCOC(=O)[C@]1([C@@H]2COC(=O)[C@@]2(C=C[C@@H]1O)O)C

InChI

InChI=1S/C12H16O6/c1-3-17-9(14)11(2)7-6-18-10(15)12(7,16)5-4-8(11)13/h4-5,7-8,13,16H,3,6H2,1-2H3/t7-,8-,11-,12-/m0/s1